4-fluoro-N-(phenoxymethyl)benzenesulfonamide

C13H12FNO3S — CID 70133327

IUPAC4-fluoro-N-(phenoxymethyl)benzenesulfonamide
SMILESO=S(=O)(NCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-6-8-13(9-7-11)19(16,17)15-10-18-12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyNSBCHDWBNPJPHY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.14
Rot. Bonds5

About 4-fluoro-N-(phenoxymethyl)benzenesulfonamide

4-fluoro-N-(phenoxymethyl)benzenesulfonamide (PubChem CID 70133327) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-fluoro-N-(phenoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(phenoxymethyl)benzenesulfonamide
PubChem CID70133327
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name4-fluoro-N-(phenoxymethyl)benzenesulfonamide
SMILESO=S(=O)(NCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-6-8-13(9-7-11)19(16,17)15-10-18-12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyNSBCHDWBNPJPHY-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-fluoro-N-(phenoxymethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(phenoxymethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(phenoxymethyl)benzenesulfonamide (CID 70133327) is 4-fluoro-N-(phenoxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(phenoxymethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(phenoxymethyl)benzenesulfonamide is O=S(=O)(NCOc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(phenoxymethyl)benzenesulfonamide?
The InChIKey is NSBCHDWBNPJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-11-6-8-13(9-7-11)19(16,17)15-10-18-12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 4-fluoro-N-(phenoxymethyl)benzenesulfonamide?
4-fluoro-N-(phenoxymethyl)benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(phenoxymethyl)benzenesulfonamide is sourced from PubChem (CID 70133327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).