Chemical ID: 6832369

Cc1cccc(c1)[N-]S(=O)(=O)c2ccccc2C#N
Chemical ID:
6832369
Name [?]:
(2-cyanophenyl)sulfonyl-(m-tolyl)azanide
SMILES [?]:
Cc1cccc(c1)[N-]S(=O)(=O)c2ccccc2C#N
InChi [?]:
InChI=1/C14H11N2O2S/c1-11-5-4-7-13(9-11)16-19(17,18)14-8-3-2-6-12(14)10-15/h2-9H,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,15,14,4,3,16,5,13,7,18,2,17,6,12,19,8,10,11,9/E:(17,18)/CRV:16-1,19.6/rA:19nCCCCCCCN-SOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N2O2S-
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-24.0321
Area:444.641
Solvation:-35.1481
Coulombic:22.8231
Bond Count [?]
All:20
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.315
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.89

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Descriptor Annotations

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