Chemical ID: 4450269

Cc1ccc(cc1)NS(=O)(=O)c2cccc(c2)C
Chemical ID:
4450269
Name [?]:
3-methyl-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C14H15NO2S/c1-11-6-8-13(9-7-11)15-18(16,17)14-5-3-4-12(2)10-14/h3-10,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,15,13,3,7,4,6,17,2,16,5,12,8,10,11,9/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.20018
Area:435.062
Solvation:-1.67638
Coulombic:-14.1866
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:3.59
LogP (Chemaxon):3.54

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Descriptor Annotations

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