Chemical ID: 4458719

Cc1ccc(cc1C)NS(=O)(=O)c2ccccc2C#N
Chemical ID:
4458719
Name [?]:
2-cyano-N-(3,4-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2ccccc2C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-11-7-8-14(9-12(11)2)17-20(18,19)15-6-4-3-5-13(15)10-16/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,14,3,4,6,19,2,7,18,5,13,20,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.17622
Area:456.516
Solvation:-2.23669
Coulombic:-16.3465
Bond Count [?]
All:21
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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