4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide

C14H14FNO3S — CID 74224377

IUPAC4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
SMILESCc1cccc(CO)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-2-4-11(9-17)14(10)16-20(18,19)13-7-5-12(15)6-8-13/h2-8,16-17H,9H2,1H3
InChIKeyUFQGEVKLYUUHAA-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.43
Rot. Bonds4

About 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide

4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide (PubChem CID 74224377) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
PubChem CID74224377
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
SMILESCc1cccc(CO)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-2-4-11(9-17)14(10)16-20(18,19)13-7-5-12(15)6-8-13/h2-8,16-17H,9H2,1H3
InChIKeyUFQGEVKLYUUHAA-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
CID 23647766
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4934055
N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 112997342
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide (CID 74224377) is 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide is Cc1cccc(CO)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide?
The InChIKey is UFQGEVKLYUUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-3-2-4-11(9-17)14(10)16-20(18,19)13-7-5-12(15)6-8-13/h2-8,16-17H,9H2,1H3.
What are the key properties of 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide?
4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 74224377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).