Chemical ID: 4068775

c1ccc(cc1)CS(=O)(=O)NCCC#N
Chemical ID:
4068775
Name [?]:
N-(2-cyanoethyl)-1-phenyl-methanesulfonamide
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)NCCC#N
InChi [?]:
InChI=1/C10H12N2O2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,14,12,7,4,15,11,9,10,8/E:(2,3)(5,6)(13,14)/CRV:15.6/rA:15nCCCCCCCSOONCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.76151
Area:416.436
Solvation:-3.64939
Coulombic:-12.6734
Bond Count [?]
All:15
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.281
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.51
LogP (Chemaxon):0.83

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Descriptor Annotations

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