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Chemical ID: 5414565
Chemical ID:
5414565
Name [?]:
N-(3-cyanophenyl)-2,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H14N2O2S/c1-11-6-7-15(12(2)8-11)20(18,19)17-14-5-3-4-13(9-14)10-16/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,14,3,4,7,18,19,2,6,17,13,5,20,12,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53145 |
Area: | 466.223 |
Solvation: | -2.12411 |
Coulombic: | -16.802 |
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: | 3.1 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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