Chemical ID: 4042055

Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)CC#N
Chemical ID:
4042055
Name [?]:
N-[4-(cyanomethyl)phenyl]-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2)CC#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-12-3-2-4-15(11-12)20(18,19)17-14-7-5-13(6-8-14)9-10-16/h2-8,11,17H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,16,13,17,18,19,7,2,15,12,6,20,11,9,10,8/E:(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.22637
Area:475.317
Solvation:-2.65654
Coulombic:-15.7735
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:2.69
LogP (Chemaxon):3.04

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