3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

C11H15F2NO4S — CID 90501120

IUPAC3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)8-3-4-9(12)10(13)5-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyXQDYNYISDPTHLW-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.64
Rot. Bonds6

About 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 90501120) has the molecular formula C11H15F2NO4S and a molecular weight of 295.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID90501120
Molecular FormulaC11H15F2NO4S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Name3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)8-3-4-9(12)10(13)5-8/h3-5,14-15H,6-7H2,1-2H3
InChIKeyXQDYNYISDPTHLW-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-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
3-cyano-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 103835070
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-difluorobenzenesulfonamide
CID 106251271
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-[2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]-3,4-difluorobenzenesulfonamide
CID 166232776
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (CID 90501120) is 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is COCC(C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is XQDYNYISDPTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4S/c1-11(15,7-18-2)6-14-19(16,17)8-3-4-9(12)10(13)5-8/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
3,4-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 3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).