Chemical ID: 6675539

Cc1ccc(cc1)N(C#N)S(=O)(=O)c2ccccc2
Chemical ID:
6675539
Name [?]:
N-cyano-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)N(C#N)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12N2O2S/c1-12-7-9-13(10-8-12)16(11-15)19(17,18)14-5-3-2-4-6-14/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,9,2,5,14,10,8,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCCNCNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;t9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.66063
Area:447.942
Solvation:-1.53792
Coulombic:-14.5135
Bond Count [?]
All:20
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.323
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.51
LogP (Chemaxon):3.29

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