
 SCHEMBL1615156

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.0570    0.4595   -0.3017 C   0  0  0  0  0
    2.5059    0.3723   -0.1634 N   0  0  0  0  0
    3.1339   -0.9015   -0.1461 C   0  0  0  0  0
    4.5156   -0.9863    0.0220 C   0  0  0  0  0
    5.1724   -2.2258    0.0592 C   0  0  0  0  0
    4.4300   -3.3964   -0.0876 C   0  0  0  0  0
    3.0483   -3.3403   -0.2571 C   0  0  0  0  0
    2.4058   -2.0961   -0.2849 C   0  0  0  0  0
    5.2630   -4.9638   -0.0485 S   0  0  0  0  0
    6.1000   -4.9769    1.1296 O   0  0  0  0  0
    4.2781   -5.9922   -0.3047 O   0  0  0  0  0
    6.2377   -4.8447   -1.4448 N   0  0  0  0  0
    7.0846   -5.9922   -1.6427 C   0  0  0  0  0
    6.6996   -6.9849   -2.5506 C   0  0  0  0  0
    7.4605   -8.1334   -2.7269 C   0  0  0  0  0
    8.6222   -8.2912   -1.9765 C   0  0  0  0  0
    9.0174   -7.3128   -1.0596 C   0  0  0  0  0
    8.2433   -6.1609   -0.8872 C   0  0  0  0  0
    9.5799   -9.7057   -2.1795 Cl  0  0  0  0  0
    5.5815   -6.8179   -3.2734 F   0  0  0  0  0
    5.2991    0.2500    0.1578 C   0  0  0  0  0
    6.5124    0.1717    0.3354 O   0  0  0  0  0
    4.6036    1.4460    0.0724 N   0  0  0  0  0
    3.2236    1.5597   -0.0353 C   0  0  0  0  0
    2.6622    2.6571   -0.0163 O   0  0  0  0  0
    5.3835    2.6640    0.2049 C   0  0  0  0  0
    0.6990    1.4928   -0.2929 H   0  0  0  0  0
    0.5801   -0.0646    0.5328 H   0  0  0  0  0
    0.7560    0.0132   -1.2550 H   0  0  0  0  0
    6.2512   -2.2738    0.2020 H   0  0  0  0  0
    2.4587   -4.2492   -0.3609 H   0  0  0  0  0
    1.3269   -2.0958   -0.4148 H   0  0  0  0  0
    5.6146   -4.7331   -2.2502 H   0  0  0  0  0
    7.1392   -8.8872   -3.4374 H   0  0  0  0  0
    9.9223   -7.4445   -0.4709 H   0  0  0  0  0
    8.5470   -5.4086   -0.1626 H   0  0  0  0  0
    4.8453    3.5394   -0.1688 H   0  0  0  0  0
    6.3244    2.5719   -0.3465 H   0  0  0  0  0
    5.6128    2.8112    1.2650 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 24  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
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 26 39  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1615156

>  <PubChem CID>
57944921

>  <Formula>
C16H13ClFN3O4S

>  <Molecular Weight>
397.805000

>  <IUPAC Name>
N-(4-chloro-2-fluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)F)C(=O)N(C1=O)C

>  <Isomeric SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)F)C(=O)N(C1=O)C

>  <InChI Std. ID>
InChI=1S/C16H13ClFN3O4S/c1-20-14-6-4-10(8-11(14)15(22)21(2)16(20)23)26(24,25)19-13-5-3-9(17)7-12(13)18/h3-8,19H,1-2H3

>  <InChI Key>
NZWZGVKNALWCSR-UHFFFAOYSA-N

