Chemical ID: 6672020

Cc1cc(ccc1NS(=O)(=O)c2ccccc2)Cl
Chemical ID:
6672020
Name [?]:
N-(4-chloro-2-methyl-phenyl)benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1NS(=O)(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S/c1-10-9-11(14)7-8-13(10)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,5,6,3,2,4,12,7,18,8,10,11,9/E:(3,4)(5,6)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClNO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.32021
Area:439.391
Solvation:-1.66457
Coulombic:-14.4965
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.759
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):3.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue