5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide

C11H14ClFN2O4S — CID 67126630

IUPAC5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCOCC2)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O4S/c12-9-5-8(20(14,16)17)6-15-10(9)19-7-11(13)1-3-18-4-2-11/h5-6H,1-4,7H2,(H2,14,16,17)
InChIKeyQSJLJMTVWZAEFT-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.28
Rot. Bonds4

About 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126630) has the molecular formula C11H14ClFN2O4S and a molecular weight of 324.76 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
PubChem CID67126630
Molecular FormulaC11H14ClFN2O4S
Molecular Weight324.76 g/mol
Exact Mass324.03
IUPAC Name5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCOCC2)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O4S/c12-9-5-8(20(14,16)17)6-15-10(9)19-7-11(13)1-3-18-4-2-11/h5-6H,1-4,7H2,(H2,14,16,17)
InChIKeyQSJLJMTVWZAEFT-UHFFFAOYSA-N
XLogP1.28
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide (CID 67126630) is 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(F)CCOCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The InChIKey is QSJLJMTVWZAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4S/c12-9-5-8(20(14,16)17)6-15-10(9)19-7-11(13)1-3-18-4-2-11/h5-6H,1-4,7H2,(H2,14,16,17).
What are the key properties of 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide has a molecular weight of 324.76 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).