
 N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.6670    0.5565    0.2452 C   0  0  0  0  0
    2.1637    0.4462    0.1308 C   0  0  0  0  0
    2.9187    1.6098   -0.0993 C   0  0  0  0  0
    4.3159    1.5735   -0.2521 C   0  0  0  0  0
    4.9575    0.3261   -0.1728 C   0  0  0  0  0
    4.2152   -0.8387    0.0808 C   0  0  0  0  0
    2.8224   -0.7897    0.2496 C   0  0  0  0  0
    2.0721   -2.0758    0.4675 C   0  0  0  0  0
    6.7065    0.1383   -0.4769 S   0  0  0  0  0
    7.0597   -1.2615   -0.3695 O   0  0  0  0  0
    7.0230    0.8787   -1.6805 O   0  0  0  0  0
    7.4298    0.9863    0.7955 N   0  0  0  0  0
    7.6395    0.2968    2.0188 C   0  0  0  0  0
    6.6430    0.2912    2.9926 C   0  0  0  0  0
    6.8479   -0.4065    4.1838 C   0  0  0  0  0
    8.0344   -1.1068    4.3790 C   0  0  0  0  0
    9.0259   -1.1205    3.4027 C   0  0  0  0  0
    8.8252   -0.4149    2.2153 C   0  0  0  0  0
    8.1879   -1.7801    5.5541 O   0  0  0  0  0
    5.0376    2.8635   -0.5243 C   0  0  0  0  0
    0.3180    1.5661    0.0031 H   0  0  0  0  0
    0.3465    0.3279    1.2663 H   0  0  0  0  0
    0.1791   -0.1298   -0.4548 H   0  0  0  0  0
    2.4006    2.5654   -0.1789 H   0  0  0  0  0
    4.7210   -1.8027    0.1310 H   0  0  0  0  0
    1.2373   -1.9380    1.1612 H   0  0  0  0  0
    2.7216   -2.8407    0.9064 H   0  0  0  0  0
    1.6896   -2.4503   -0.4870 H   0  0  0  0  0
    8.2022    1.5501    0.4427 H   0  0  0  0  0
    5.7165    0.8378    2.8430 H   0  0  0  0  0
    6.0832   -0.4078    4.9556 H   0  0  0  0  0
    9.9485   -1.6747    3.5420 H   0  0  0  0  0
    9.5881   -0.4409    1.4423 H   0  0  0  0  0
    9.0354   -2.2545    5.5331 H   0  0  0  0  0
    4.3642    3.7232   -0.4304 H   0  0  0  0  0
    5.4357    2.8778   -1.5424 H   0  0  0  0  0
    5.8432    3.0221    0.1973 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  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 29  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide

>  <PubChem CID>
697331

>  <Formula>
C15H17NO3S

>  <Molecular Weight>
291.365000

>  <IUPAC Name>
N-(4-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC=C(C=C2)O)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC=C(C=C2)O)C

>  <InChI Std. ID>
InChI=1S/C15H17NO3S/c1-10-8-12(3)15(9-11(10)2)20(18,19)16-13-4-6-14(17)7-5-13/h4-9,16-17H,1-3H3

>  <InChI Key>
ATOHBNFBJYMXJG-UHFFFAOYSA-N

