Chemical ID: 5603020

c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2F)Cl
Chemical ID:
5603020
Name [?]:
2,3-dichloro-N-(4-chloro-2-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2F)Cl
InChi [?]:
InChI=1/C12H7Cl3FNO2S/c13-7-4-5-10(9(16)6-7)17-20(18,19)11-3-1-2-8(14)12(11)15/h1-6,17H
InChi Info:
AuxInfo=1/0/N:1,6,2,15,14,17,16,5,18,13,3,4,20,7,8,19,12,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCClClSOONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Cl3FNO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.96074
Area:476.03
Solvation:-2.94001
Coulombic:-16.7577
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.612
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue