2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide

C11H15F2NO3S — CID 107271298

IUPAC2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3S/c1-8(15)4-3-7-14-18(16,17)11-9(12)5-2-6-10(11)13/h2,5-6,8,14-15H,3-4,7H2,1H3
InChIKeyKYLXSJUKIVEWBW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.40
Rot. Bonds6

About 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide

2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide (PubChem CID 107271298) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
PubChem CID107271298
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO3S/c1-8(15)4-3-7-14-18(16,17)11-9(12)5-2-6-10(11)13/h2,5-6,8,14-15H,3-4,7H2,1H3
InChIKeyKYLXSJUKIVEWBW-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-difluoro-N-(4-hydroxypentyl)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

2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 114145999
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 47121963
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide (CID 107271298) is 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide is CC(O)CCCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The InChIKey is KYLXSJUKIVEWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-8(15)4-3-7-14-18(16,17)11-9(12)5-2-6-10(11)13/h2,5-6,8,14-15H,3-4,7H2,1H3.
What are the key properties of 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 107271298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).