3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide

C11H15F2NO3S — CID 115754475

IUPAC3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO3S/c1-2-3-8(15)7-14-18(16,17)9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,2-3,7H2,1H3
InChIKeyKVPNWGAFTPTQHG-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.40
Rot. Bonds6

About 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide

3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide (PubChem CID 115754475) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
PubChem CID115754475
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO3S/c1-2-3-8(15)7-14-18(16,17)9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,2-3,7H2,1H3
InChIKeyKVPNWGAFTPTQHG-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

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Related Compounds

4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
3-[[(3,4-difluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066946
5-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
methyl 2-chloro-3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 103493543
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide (CID 115754475) is 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide is CCCC(O)CNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide?
The InChIKey is KVPNWGAFTPTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-2-3-8(15)7-14-18(16,17)9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,2-3,7H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide?
3,4-difluoro-N-(2-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 3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 115754475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).