2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

C11H15F2NO4S — CID 90501122

IUPAC2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyAFNHLCUXELSGMC-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.64
Rot. Bonds6

About 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 90501122) has the molecular formula C11H15F2NO4S and a molecular weight of 295.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID90501122
Molecular FormulaC11H15F2NO4S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Name2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyAFNHLCUXELSGMC-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501120
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
CID 90600032
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (CID 90501122) is 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is COCC(C)(O)CNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is AFNHLCUXELSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90501122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).