5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide

C9H9ClF2N2O3S — CID 67226674

IUPAC5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2CC2(F)F)c(Cl)c1
InChIInChI=1S/C9H9ClF2N2O3S/c10-7-1-6(18(13,15)16)3-14-8(7)17-4-5-2-9(5,11)12/h1,3,5H,2,4H2,(H2,13,15,16)
InChIKeyKKIFABGWFYUJRV-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.42
Rot. Bonds4

About 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67226674) has the molecular formula C9H9ClF2N2O3S and a molecular weight of 298.70 g/mol. Its IUPAC name is 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide
PubChem CID67226674
Molecular FormulaC9H9ClF2N2O3S
Molecular Weight298.70 g/mol
Exact Mass298.00
IUPAC Name5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2CC2(F)F)c(Cl)c1
InChIInChI=1S/C9H9ClF2N2O3S/c10-7-1-6(18(13,15)16)3-14-8(7)17-4-5-2-9(5,11)12/h1,3,5H,2,4H2,(H2,13,15,16)
InChIKeyKKIFABGWFYUJRV-UHFFFAOYSA-N
XLogP1.42
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide (CID 67226674) is 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2CC2(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is KKIFABGWFYUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O3S/c10-7-1-6(18(13,15)16)3-14-8(7)17-4-5-2-9(5,11)12/h1,3,5H,2,4H2,(H2,13,15,16).
What are the key properties of 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 298.70 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,2-difluorocyclopropyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67226674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).