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

C9H13FN2O3S — CID 65034557

IUPAC5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H13FN2O3S/c1-7(6-13)3-12-16(14,15)9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3
InChIKeyXPKACUYTWAUKAX-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.13
Rot. Bonds5

About 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide

5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 65034557) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
PubChem CID65034557
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H13FN2O3S/c1-7(6-13)3-12-16(14,15)9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3
InChIKeyXPKACUYTWAUKAX-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

methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325983
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 62521778
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034551
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (CID 65034557) is 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is CC(CO)CNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is XPKACUYTWAUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-7(6-13)3-12-16(14,15)9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3.
What are the key properties of 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-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 5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).