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Chemical ID: 7268896
Chemical ID:
7268896
Name [?]:
4-cyano-N-(3-ethylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-2-12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(11-16)7-9-15/h3-10,17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,4,6,15,17,14,18,8,19,3,16,7,13,20,9,11,12,10/E:(6,7)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2S |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70733 |
Area: | 477.245 |
Solvation: | -2.22379 |
Coulombic: | -16.9929 |
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: | 3.34 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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