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

C12H15ClF2N2O4S — CID 67126759

IUPAC5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(O)CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O4S/c13-9-5-8(22(16,19)20)6-17-10(9)21-7-11(18)1-3-12(14,15)4-2-11/h5-6,18H,1-4,7H2,(H2,16,19,20)
InChIKeyBKQAGVMWPSMYNZ-UHFFFAOYSA-N
MW356.78 g/mol
LogP1.70
Rot. Bonds4

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

5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126759) has the molecular formula C12H15ClF2N2O4S and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126759
Molecular FormulaC12H15ClF2N2O4S
Molecular Weight356.78 g/mol
Exact Mass356.04
IUPAC Name5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(O)CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O4S/c13-9-5-8(22(16,19)20)6-17-10(9)21-7-11(18)1-3-12(14,15)4-2-11/h5-6,18H,1-4,7H2,(H2,16,19,20)
InChIKeyBKQAGVMWPSMYNZ-UHFFFAOYSA-N
XLogP1.70
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126759) is 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(O)CCC(F)(F)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is BKQAGVMWPSMYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O4S/c13-9-5-8(22(16,19)20)6-17-10(9)21-7-11(18)1-3-12(14,15)4-2-11/h5-6,18H,1-4,7H2,(H2,16,19,20).
What are the key properties of 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 356.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).