Chemical ID: 4187964

CCc1ccc(cc1)S(=O)(=O)Nc2ccc(cn2)C
Chemical ID:
4187964
Name [?]:
4-ethyl-N-(5-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2ccc(cn2)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-3-12-5-7-13(8-6-12)19(17,18)16-14-9-4-11(2)10-15-14/h4-10H,3H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,4,8,5,7,14,17,16,3,6,13,18,12,10,11,9/E:(5,6)(7,8)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.90142
Area:454.755
Solvation:-2.46746
Coulombic:-17.8389
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.355
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.32
LogP (Chemaxon):2.72

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Descriptor Annotations

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