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Chemical ID: 4068775
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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