3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

C12H7Cl3FNO2S — CID 3742158

IUPAC3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-12(16)11(15)6-10/h1-6,17H
InChIKeyMRDFNHFZYZNUBK-UHFFFAOYSA-N
MW354.62 g/mol
LogP4.59
Rot. Bonds3

About 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 3742158) has the molecular formula C12H7Cl3FNO2S and a molecular weight of 354.62 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID3742158
Molecular FormulaC12H7Cl3FNO2S
Molecular Weight354.62 g/mol
Exact Mass352.92
IUPAC Name3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-12(16)11(15)6-10/h1-6,17H
InChIKeyMRDFNHFZYZNUBK-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 3719426
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 3742158) is 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is MRDFNHFZYZNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO2S/c13-7-3-8(14)5-9(4-7)17-20(18,19)10-1-2-12(16)11(15)6-10/h1-6,17H.
What are the key properties of 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 354.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3742158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).