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

C13H18ClF2N3O3S — CID 67126531

IUPAC5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC[C@@H]2CCN(C(CF)CF)C2)c(Cl)c1
InChIInChI=1S/C13H18ClF2N3O3S/c14-12-3-11(23(17,20)21)6-18-13(12)22-8-9-1-2-19(7-9)10(4-15)5-16/h3,6,9-10H,1-2,4-5,7-8H2,(H2,17,20,21)/t9-/m1/s1
InChIKeyXMKLFMLZWIARJV-SECBINFHSA-N
MW369.82 g/mol
LogP1.39
Rot. Bonds7

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

5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 67126531) has the molecular formula C13H18ClF2N3O3S and a molecular weight of 369.82 g/mol. Its IUPAC name is 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide
PubChem CID67126531
Molecular FormulaC13H18ClF2N3O3S
Molecular Weight369.82 g/mol
Exact Mass369.07
IUPAC Name5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC[C@@H]2CCN(C(CF)CF)C2)c(Cl)c1
InChIInChI=1S/C13H18ClF2N3O3S/c14-12-3-11(23(17,20)21)6-18-13(12)22-8-9-1-2-19(7-9)10(4-15)5-16/h3,6,9-10H,1-2,4-5,7-8H2,(H2,17,20,21)/t9-/m1/s1
InChIKeyXMKLFMLZWIARJV-SECBINFHSA-N
XLogP1.39
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide (CID 67126531) is 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OC[C@@H]2CCN(C(CF)CF)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is XMKLFMLZWIARJV-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClF2N3O3S/c14-12-3-11(23(17,20)21)6-18-13(12)22-8-9-1-2-19(7-9)10(4-15)5-16/h3,6,9-10H,1-2,4-5,7-8H2,(H2,17,20,21)/t9-/m1/s1.
What are the key properties of 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide?
5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 369.82 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).