Chemical ID: 5506857

c1ccc(c(c1)CS(=O)(=O)NCC#N)Cl
Chemical ID:
5506857
Name [?]:
1-(2-chlorophenyl)-N-(cyanomethyl)methanesulfonamide
SMILES [?]:
c1ccc(c(c1)CS(=O)(=O)NCC#N)Cl
InChi [?]:
InChI=1/C9H9ClN2O2S/c10-9-4-2-1-3-8(9)7-15(13,14)12-6-5-11/h1-4,12H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,12,7,5,4,15,14,11,9,10,8/E:(13,14)/CRV:15.6/rA:15nCCCCCCCSOONCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;s12;t13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClN2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.7362
Area:408.166
Solvation:-3.46796
Coulombic:-13.3666
Bond Count [?]
All:15
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.699
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.98
LogP (Chemaxon):1.17

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Descriptor Annotations

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