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Chemical ID: 6675543
Chemical ID:
6675543
Name [?]:
N-cyano-4-methyl-N-(p-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)N(C#N)S(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C15H14N2O2S/c1-12-3-7-14(8-4-12)17(11-16)20(18,19)15-9-5-13(2)6-10-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,7,16,18,4,6,15,19,9,2,17,5,14,10,8,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(18,19)/CRV:20.6/rA:20nCCCCCCCNCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;t9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.251 |
Area: | 471.274 |
Solvation: | -1.53088 |
Coulombic: | -14.2761 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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