Chemical ID: 5414565

Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)C#N
Chemical ID:
5414565
Name [?]:
N-(3-cyanophenyl)-2,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-11-6-7-15(12(2)8-11)20(18,19)17-14-5-3-4-13(9-14)10-16/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,14,3,4,7,18,19,2,6,17,13,5,20,12,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.53145
Area:466.223
Solvation:-2.12411
Coulombic:-16.802
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:3.1
LogP (Chemaxon):3.36

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Descriptor Annotations

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