Chemical ID: 4753791

CCc1ccnc(c1)NS(=O)(=O)c2ccccc2Cl
Chemical ID:
4753791
Name [?]:
2-chloro-N-(4-ethyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1ccnc(c1)NS(=O)(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-2-10-7-8-15-13(9-10)16-19(17,18)12-6-4-3-5-11(12)14/h3-9H,2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,4,5,8,3,18,13,7,19,6,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCNCCNSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.74007
Area:451.166
Solvation:-2.53908
Coulombic:-17.9714
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.773
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.06

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Descriptor Annotations

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