5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide

C12H15ClF2N2O3S — CID 67126752

IUPAC5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3S/c13-10-5-9(21(16,18)19)6-17-11(10)20-7-8-1-3-12(14,15)4-2-8/h5-6,8H,1-4,7H2,(H2,16,18,19)
InChIKeyCQSJMEAWCUDOBL-UHFFFAOYSA-N
MW340.78 g/mol
LogP2.59
Rot. Bonds4

About 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126752) has the molecular formula C12H15ClF2N2O3S and a molecular weight of 340.78 g/mol. Its IUPAC name is 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126752
Molecular FormulaC12H15ClF2N2O3S
Molecular Weight340.78 g/mol
Exact Mass340.05
IUPAC Name5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2CCC(F)(F)CC2)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3S/c13-10-5-9(21(16,18)19)6-17-11(10)20-7-8-1-3-12(14,15)4-2-8/h5-6,8H,1-4,7H2,(H2,16,18,19)
InChIKeyCQSJMEAWCUDOBL-UHFFFAOYSA-N
XLogP2.59
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126752) is 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2CCC(F)(F)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is CQSJMEAWCUDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3S/c13-10-5-9(21(16,18)19)6-17-11(10)20-7-8-1-3-12(14,15)4-2-8/h5-6,8H,1-4,7H2,(H2,16,18,19).
What are the key properties of 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 340.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,4-difluorocyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).