3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8ClF4NO2S — CID 3809875

IUPAC3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO2S/c14-10-7-8(5-6-11(10)15)22(20,21)19-12-4-2-1-3-9(12)13(16,17)18/h1-7,19H
InChIKeyJCOAPQBZKKKJSE-UHFFFAOYSA-N
MW353.72 g/mol
LogP4.30
Rot. Bonds3

About 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3809875) has the molecular formula C13H8ClF4NO2S and a molecular weight of 353.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3809875
Molecular FormulaC13H8ClF4NO2S
Molecular Weight353.72 g/mol
Exact Mass352.99
IUPAC Name3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO2S/c14-10-7-8(5-6-11(10)15)22(20,21)19-12-4-2-1-3-9(12)13(16,17)18/h1-7,19H
InChIKeyJCOAPQBZKKKJSE-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3809875) is 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JCOAPQBZKKKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO2S/c14-10-7-8(5-6-11(10)15)22(20,21)19-12-4-2-1-3-9(12)13(16,17)18/h1-7,19H.
What are the key properties of 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 353.72 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).