2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H11F4NO3S — CID 79187804

IUPAC2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccc(CO)cc1F
InChIInChI=1S/C10H11F4NO3S/c11-8-5-7(6-16)1-2-9(8)19(17,18)15-4-3-10(12,13)14/h1-2,5,15-16H,3-4,6H2
InChIKeyQZQRAVONOVFGNF-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.55
Rot. Bonds5

About 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 79187804) has the molecular formula C10H11F4NO3S and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID79187804
Molecular FormulaC10H11F4NO3S
Molecular Weight301.26 g/mol
Exact Mass301.04
IUPAC Name2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccc(CO)cc1F
InChIInChI=1S/C10H11F4NO3S/c11-8-5-7(6-16)1-2-9(8)19(17,18)15-4-3-10(12,13)14/h1-2,5,15-16H,3-4,6H2
InChIKeyQZQRAVONOVFGNF-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)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

2-fluoro-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79190551
2-bromo-4-(hydroxymethyl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115522718
2-chloro-5-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522640
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
4-chloro-3-fluoro-5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81457911
N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 107380788
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 79187804) is 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is O=S(=O)(NCCC(F)(F)F)c1ccc(CO)cc1F.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is QZQRAVONOVFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO3S/c11-8-5-7(6-16)1-2-9(8)19(17,18)15-4-3-10(12,13)14/h1-2,5,15-16H,3-4,6H2.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 301.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 79187804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).