3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide

C12H17FN2O3S — CID 106360576

IUPAC3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1ncccc1F
InChIInChI=1S/C12H17FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-11-6-2-1-4-9(11)8-16/h3,5,7,9,11,15-16H,1-2,4,6,8H2
InChIKeyZOZGVUBEDGEJAB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.05
Rot. Bonds4

About 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide

3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide (PubChem CID 106360576) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide
PubChem CID106360576
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1ncccc1F
InChIInChI=1S/C12H17FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-11-6-2-1-4-9(11)8-16/h3,5,7,9,11,15-16H,1-2,4,6,8H2
InChIKeyZOZGVUBEDGEJAB-UHFFFAOYSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 114179771
N-(2-bromocyclopentyl)-3-fluoropyridine-2-sulfonamide
CID 103302197
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
3-fluoro-N-(2-methylcyclopropyl)pyridine-2-sulfonamide
CID 103300003
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-2-sulfonamide
CID 103299013
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
3-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-sulfonamide
CID 103300487
N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide (CID 106360576) is 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide is O=S(=O)(NC1CCCCC1CO)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide?
The InChIKey is ZOZGVUBEDGEJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-5-3-7-14-12(10)19(17,18)15-11-6-2-1-4-9(11)8-16/h3,5,7,9,11,15-16H,1-2,4,6,8H2.
What are the key properties of 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide?
3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106360576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).