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Chemical ID: 5506857
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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