N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide

C14H14FNO3S — CID 67044881

IUPACN-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C14H14FNO3S/c1-16(13-8-6-12(15)7-9-13)20(18,19)14-5-3-2-4-11(14)10-17/h2-9,17H,10H2,1H3
InChIKeyISWSQSDJEVFWBE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds4

About N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide

N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 67044881) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID67044881
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C14H14FNO3S/c1-16(13-8-6-12(15)7-9-13)20(18,19)14-5-3-2-4-11(14)10-17/h2-9,17H,10H2,1H3
InChIKeyISWSQSDJEVFWBE-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 67044881) is N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is ISWSQSDJEVFWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-16(13-8-6-12(15)7-9-13)20(18,19)14-5-3-2-4-11(14)10-17/h2-9,17H,10H2,1H3.
What are the key properties of N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 67044881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).