3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide

C13H19FN2O3S — CID 103300172

IUPAC3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H19FN2O3S/c1-10-4-2-6-13(17,8-10)9-16-20(18,19)12-11(14)5-3-7-15-12/h3,5,7,10,16-17H,2,4,6,8-9H2,1H3
InChIKeyUFDYBULNJCCNNM-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide

3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide (PubChem CID 103300172) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
PubChem CID103300172
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H19FN2O3S/c1-10-4-2-6-13(17,8-10)9-16-20(18,19)12-11(14)5-3-7-15-12/h3,5,7,10,16-17H,2,4,6,8-9H2,1H3
InChIKeyUFDYBULNJCCNNM-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121305
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847940
3-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyridine-2-sulfonamide
CID 103300255
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65121452
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide (CID 103300172) is 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide is CC1CCCC(O)(CNS(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide?
The InChIKey is UFDYBULNJCCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-10-4-2-6-13(17,8-10)9-16-20(18,19)12-11(14)5-3-7-15-12/h3,5,7,10,16-17H,2,4,6,8-9H2,1H3.
What are the key properties of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide?
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103300172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).