4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H11F4NO3S — CID 67557754

IUPAC4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,19-20H,1H3
InChIKeyVFTJGGBWUZVXIV-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.66
Rot. Bonds3

About 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67557754) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67557754
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC Name4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,19-20H,1H3
InChIKeyVFTJGGBWUZVXIV-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 67557754) is 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1O.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VFTJGGBWUZVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,19-20H,1H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 349.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67557754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).