Chemical ID: 7268896

CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)C#N
Chemical ID:
7268896
Name [?]:
4-cyano-N-(3-ethylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-2-12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(11-16)7-9-15/h3-10,17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,4,6,15,17,14,18,8,19,3,16,7,13,20,9,11,12,10/E:(6,7)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O2S
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.70733
Area:477.245
Solvation:-2.22379
Coulombic:-16.9929
Bond Count [?]
All:21
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):3.29

Name Annotations

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Descriptor Annotations

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