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

C14H19ClF3N3O3S — CID 67170487

IUPAC5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClF3N3O3S/c15-12-5-11(25(19,22)23)8-20-13(12)24-9-14(18)1-3-21(4-2-14)10(6-16)7-17/h5,8,10H,1-4,6-7,9H2,(H2,19,22,23)
InChIKeyNIKUZTJDNNAVLI-UHFFFAOYSA-N
MW401.84 g/mol
LogP1.87
Rot. Bonds7

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

5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 67170487) has the molecular formula C14H19ClF3N3O3S and a molecular weight of 401.84 g/mol. Its IUPAC name is 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
PubChem CID67170487
Molecular FormulaC14H19ClF3N3O3S
Molecular Weight401.84 g/mol
Exact Mass401.08
IUPAC Name5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClF3N3O3S/c15-12-5-11(25(19,22)23)8-20-13(12)24-9-14(18)1-3-21(4-2-14)10(6-16)7-17/h5,8,10H,1-4,6-7,9H2,(H2,19,22,23)
InChIKeyNIKUZTJDNNAVLI-UHFFFAOYSA-N
XLogP1.87
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide (CID 67170487) is 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is NIKUZTJDNNAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O3S/c15-12-5-11(25(19,22)23)8-20-13(12)24-9-14(18)1-3-21(4-2-14)10(6-16)7-17/h5,8,10H,1-4,6-7,9H2,(H2,19,22,23).
What are the key properties of 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide?
5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 401.84 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).