5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide

C12H17FN2O3S — CID 55081981

IUPAC5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-6-11(8-14-7-10)19(17,18)15-12(9-16)4-2-1-3-5-12/h6-8,15-16H,1-5,9H2
InChIKeyMNOHQXQQGMRVBB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.19
Rot. Bonds4

About 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide

5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide (PubChem CID 55081981) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
PubChem CID55081981
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-6-11(8-14-7-10)19(17,18)15-12(9-16)4-2-1-3-5-12/h6-8,15-16H,1-5,9H2
InChIKeyMNOHQXQQGMRVBB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide (CID 55081981) is 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is MNOHQXQQGMRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-6-11(8-14-7-10)19(17,18)15-12(9-16)4-2-1-3-5-12/h6-8,15-16H,1-5,9H2.
What are the key properties of 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide?
5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55081981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).