2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide

C11H15F2NO3S — CID 65113216

IUPAC2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO3S/c1-3-11(2,15)7-14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyDBQYVKVTGQLBJO-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.40
Rot. Bonds5

About 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide

2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide (PubChem CID 65113216) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
PubChem CID65113216
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO3S/c1-3-11(2,15)7-14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyDBQYVKVTGQLBJO-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
2-fluoro-N-(2-hydroxy-2-methylbutyl)-5-nitrobenzenesulfonamide
CID 65113170
3-fluoro-4-[(2-hydroxy-2-methylpentyl)sulfamoyl]benzoic acid
CID 106290816
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluorobenzenesulfonamide
CID 106146325
3,4-difluoro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 105114768
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide (CID 65113216) is 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide is CCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide?
The InChIKey is DBQYVKVTGQLBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-3-11(2,15)7-14-18(16,17)10-5-4-8(12)6-9(10)13/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide?
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 65113216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).