Chemical ID: 4310220

Cc1ccc(cc1)NS(=O)(=O)c2ccccc2C
Chemical ID:
4310220
Name [?]:
2-methyl-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2ccccc2C
InChi [?]:
InChI=1/C14H15NO2S/c1-11-7-9-13(10-8-11)15-18(16,17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,3,7,4,6,2,17,5,12,8,10,11,9/E:(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.91952
Area:423.609
Solvation:-1.6707
Coulombic:-14.3556
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.34
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.54

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