3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide

C9H13FN2O3S — CID 103300164

IUPAC3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H13FN2O3S/c1-7(6-13)5-12-16(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3
InChIKeyPIEMUMWRDIRWGK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.13
Rot. Bonds5

About 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide

3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide (PubChem CID 103300164) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
PubChem CID103300164
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H13FN2O3S/c1-7(6-13)5-12-16(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3
InChIKeyPIEMUMWRDIRWGK-UHFFFAOYSA-N
XLogP0.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
3-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)pyridine-2-sulfonamide
CID 106184850
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide (CID 103300164) is 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide is CC(CO)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide?
The InChIKey is PIEMUMWRDIRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-7(6-13)5-12-16(14,15)9-8(10)3-2-4-11-9/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide?
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103300164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).