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Chemical ID: 4042055
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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