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Chemical ID: 4458719
Chemical ID:
4458719
Name [?]:
2-cyano-N-(3,4-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2ccccc2C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-11-7-8-14(9-12(11)2)17-20(18,19)15-6-4-3-5-13(15)10-16/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,14,3,4,6,19,2,7,18,5,13,20,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17622 |
Area: | 456.516 |
Solvation: | -2.23669 |
Coulombic: | -16.3465 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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