5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide

C14H19ClF3N3O3S — CID 67126626

IUPAC5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESCC(C(F)F)C1CNCCC1(F)COc1ncc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClF3N3O3S/c1-8(12(16)17)10-6-20-3-2-14(10,18)7-24-13-11(15)4-9(5-21-13)25(19,22)23/h4-5,8,10,12,20H,2-3,6-7H2,1H3,(H2,19,22,23)
InChIKeyPZIYFBDHLDMTLN-UHFFFAOYSA-N
MW401.84 g/mol
LogP1.98
Rot. Bonds6

About 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide

5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 67126626) has the molecular formula C14H19ClF3N3O3S and a molecular weight of 401.84 g/mol. Its IUPAC name is 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
PubChem CID67126626
Molecular FormulaC14H19ClF3N3O3S
Molecular Weight401.84 g/mol
Exact Mass401.08
IUPAC Name5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESCC(C(F)F)C1CNCCC1(F)COc1ncc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClF3N3O3S/c1-8(12(16)17)10-6-20-3-2-14(10,18)7-24-13-11(15)4-9(5-21-13)25(19,22)23/h4-5,8,10,12,20H,2-3,6-7H2,1H3,(H2,19,22,23)
InChIKeyPZIYFBDHLDMTLN-UHFFFAOYSA-N
XLogP1.98
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide (CID 67126626) is 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide is CC(C(F)F)C1CNCCC1(F)COc1ncc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is PZIYFBDHLDMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O3S/c1-8(12(16)17)10-6-20-3-2-14(10,18)7-24-13-11(15)4-9(5-21-13)25(19,22)23/h4-5,8,10,12,20H,2-3,6-7H2,1H3,(H2,19,22,23).
What are the key properties of 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 401.84 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(1,1-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).