5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide

C12H14ClFN2O4S — CID 67126688

IUPAC5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCC(=O)CC2)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6H,1-4,7H2,(H2,15,18,19)
InChIKeyOCPWOQZPVIHAHY-UHFFFAOYSA-N
MW336.77 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126688) has the molecular formula C12H14ClFN2O4S and a molecular weight of 336.77 g/mol. Its IUPAC name is 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126688
Molecular FormulaC12H14ClFN2O4S
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCC(=O)CC2)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6H,1-4,7H2,(H2,15,18,19)
InChIKeyOCPWOQZPVIHAHY-UHFFFAOYSA-N
XLogP1.61
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126688) is 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(F)CCC(=O)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is OCPWOQZPVIHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6H,1-4,7H2,(H2,15,18,19).
What are the key properties of 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 336.77 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-fluoro-4-oxocyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).