N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C13H7ClF5NO2S — CID 60585547

IUPACN-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7ClF5NO2S/c14-7-1-4-12(11(16)5-7)20-23(21,22)8-2-3-10(15)9(6-8)13(17,18)19/h1-6,20H
InChIKeyNVHJPGUPAFITRI-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.44
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 60585547) has the molecular formula C13H7ClF5NO2S and a molecular weight of 371.71 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID60585547
Molecular FormulaC13H7ClF5NO2S
Molecular Weight371.71 g/mol
Exact Mass370.98
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7ClF5NO2S/c14-7-1-4-12(11(16)5-7)20-23(21,22)8-2-3-10(15)9(6-8)13(17,18)19/h1-6,20H
InChIKeyNVHJPGUPAFITRI-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 156833350
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 60585547) is N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NVHJPGUPAFITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5NO2S/c14-7-1-4-12(11(16)5-7)20-23(21,22)8-2-3-10(15)9(6-8)13(17,18)19/h1-6,20H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 371.71 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60585547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).