4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide

C12H7ClF3NO2S — CID 4968602

IUPAC4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C12H7ClF3NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H
InChIKeyHJCIMOTZDZXOKE-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide

4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 4968602) has the molecular formula C12H7ClF3NO2S and a molecular weight of 321.71 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
PubChem CID4968602
Molecular FormulaC12H7ClF3NO2S
Molecular Weight321.71 g/mol
Exact Mass320.98
IUPAC Name4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C12H7ClF3NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H
InChIKeyHJCIMOTZDZXOKE-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
CID 57378877
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide (CID 4968602) is 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is HJCIMOTZDZXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-3-2-8(14)6-9(11)15/h1-6,17H.
What are the key properties of 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide?
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 321.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 4968602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).