Chemical ID: 4430013

CSc1cccc(c1)NS(=O)(=O)c2ccc(cc2)Cl
Chemical ID:
4430013
Name [?]:
4-chloro-N-(3-methylsulfanylphenyl)-benzenesulfonamide
SMILES [?]:
CSc1cccc(c1)NS(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S2/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,15,17,14,18,8,16,7,3,13,19,9,11,12,2,10/E:(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCSCCCCCCNSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClNO2S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0775
Area:481.158
Solvation:-1.95144
Coulombic:-14.6234
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.825
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):3.78

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