Chemical ID: 6933650

c1cc(ccc1S(=O)(=O)Nc2ccc(c(c2)Cl)C#N)Cl
Chemical ID:
6933650
Name [?]:
4-chloro-N-(3-chloro-4-cyano-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2ccc(c(c2)Cl)C#N)Cl
InChi [?]:
InChI=1/C13H8Cl2N2O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9(8-16)13(15)7-11/h1-7,17H
InChi Info:
AuxInfo=1/0/N:13,2,4,12,1,5,16,18,14,3,11,6,15,20,17,19,10,8,9,7/E:(2,3)(5,6)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCClCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s14;t18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Cl2N2O2S
All Atoms:28
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.8094
Area:492.225
Solvation:-2.49623
Coulombic:-16.3116
Bond Count [?]
All:21
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.186
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):3.46

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Descriptor Annotations

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