2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H11F2NO3S — CID 43502106

IUPAC2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3
InChIKeyWFKPDNUBRICXDF-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.62
Rot. Bonds4

About 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 43502106) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID43502106
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3
InChIKeyWFKPDNUBRICXDF-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-(1-hydroxypropan-2-yl)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-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
N-(1-bromo-3-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 114294704
2,4-difluoro-N-[1-(furan-3-yl)propan-2-yl]benzenesulfonamide
CID 121127112
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 43502106) is 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is WFKPDNUBRICXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43502106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).