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

C14H11F4NO3S — CID 67557776

IUPAC3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1O
InChIInChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-11(12(15)7-10)14(16,17)18/h2-7,19-20H,1H3
InChIKeyHWGDVYXDIJPXAY-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.66
Rot. Bonds3

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

3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 67557776) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID67557776
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC Name3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1O
InChIInChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-11(12(15)7-10)14(16,17)18/h2-7,19-20H,1H3
InChIKeyHWGDVYXDIJPXAY-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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Related Compounds

N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
3-chloro-4-fluoro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide;ethane;hexane
CID 142896139
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 67557776) is 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1O.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HWGDVYXDIJPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c1-8-2-3-9(6-13(8)20)19-23(21,22)10-4-5-11(12(15)7-10)14(16,17)18/h2-7,19-20H,1H3.
What are the key properties of 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(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 3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67557776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).