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Chemical ID: 6675539
Chemical ID:
6675539
Name [?]:
N-cyano-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)N(C#N)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12N2O2S/c1-12-7-9-13(10-8-12)16(11-15)19(17,18)14-5-3-2-4-6-14/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,9,2,5,14,10,8,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCCNCNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;t9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66063 |
Area: | 447.942 |
Solvation: | -1.53792 |
Coulombic: | -14.5135 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 272.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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