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

C12H16ClFN2O4S — CID 67126848

IUPAC5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6,8,17H,1-4,7H2,(H2,15,18,19)
InChIKeyCEEXFSYLYVSDAP-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.40
Rot. Bonds4

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

5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126848) has the molecular formula C12H16ClFN2O4S and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126848
Molecular FormulaC12H16ClFN2O4S
Molecular Weight338.79 g/mol
Exact Mass338.05
IUPAC Name5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6,8,17H,1-4,7H2,(H2,15,18,19)
InChIKeyCEEXFSYLYVSDAP-UHFFFAOYSA-N
XLogP1.40
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126848) is 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)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-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is CEEXFSYLYVSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S/c13-10-5-9(21(15,18)19)6-16-11(10)20-7-12(14)3-1-8(17)2-4-12/h5-6,8,17H,1-4,7H2,(H2,15,18,19).
What are the key properties of 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 338.79 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-fluoro-4-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).