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Chemical ID: 4458208
Chemical ID:
4458208
Name [?]:
2-cyano-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2ccccc2C#N
InChi [?]:
InChI=1/C14H12N2O2S/c1-11-5-4-7-13(9-11)16-19(17,18)14-8-3-2-6-12(14)10-15/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,4,3,16,5,13,7,18,2,17,6,12,19,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70336 |
Area: | 437.169 |
Solvation: | -2.22586 |
Coulombic: | -16.5907 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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