2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C10H14FNO3S — CID 65107233

IUPAC2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c1-10(2,13)7-12-16(14,15)9-6-4-3-5-8(9)11/h3-6,12-13H,7H2,1-2H3
InChIKeyQXEUZLICTUODGO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.87
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65107233) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65107233
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c1-10(2,13)7-12-16(14,15)9-6-4-3-5-8(9)11/h3-6,12-13H,7H2,1-2H3
InChIKeyQXEUZLICTUODGO-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65107233) is 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is QXEUZLICTUODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-10(2,13)7-12-16(14,15)9-6-4-3-5-8(9)11/h3-6,12-13H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65107233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).