5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

C12H17FN2O3S — CID 103835856

IUPAC5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-5-12(8-14-7-10)19(17,18)15-6-9-2-1-3-11(16)4-9/h5,7-9,11,15-16H,1-4,6H2
InChIKeyLEVJKNJUORFDGH-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.05
Rot. Bonds4

About 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 103835856) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID103835856
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-5-12(8-14-7-10)19(17,18)15-6-9-2-1-3-11(16)4-9/h5,7-9,11,15-16H,1-4,6H2
InChIKeyLEVJKNJUORFDGH-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

3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
N-[(4-bromocyclohexyl)methyl]-5-fluoropyridine-3-sulfonamide
CID 106136168
5-fluoro-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 80563217
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 111460349
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 103835856) is 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is LEVJKNJUORFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-5-12(8-14-7-10)19(17,18)15-6-9-2-1-3-11(16)4-9/h5,7-9,11,15-16H,1-4,6H2.
What are the key properties of 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-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 5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103835856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).