3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide

C13H7Cl2FN2O2S — CID 82682816

IUPAC3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O2S/c14-11-3-2-10(6-12(11)15)21(19,20)18-13-4-1-9(16)5-8(13)7-17/h1-6,18H
InChIKeyWMIQBKHKBDFCIV-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.80
Rot. Bonds3

About 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide

3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide (PubChem CID 82682816) has the molecular formula C13H7Cl2FN2O2S and a molecular weight of 345.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
PubChem CID82682816
Molecular FormulaC13H7Cl2FN2O2S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC Name3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O2S/c14-11-3-2-10(6-12(11)15)21(19,20)18-13-4-1-9(16)5-8(13)7-17/h1-6,18H
InChIKeyWMIQBKHKBDFCIV-UHFFFAOYSA-N
XLogP3.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-(2-cyano-4-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 82015244

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide (CID 82682816) is 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The InChIKey is WMIQBKHKBDFCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O2S/c14-11-3-2-10(6-12(11)15)21(19,20)18-13-4-1-9(16)5-8(13)7-17/h1-6,18H.
What are the key properties of 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide has a molecular weight of 345.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 82682816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).