5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide

C12H17ClFN3O3S — CID 67126600

IUPAC5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCN1CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C12H17ClFN3O3S/c1-17-4-2-12(14,3-5-17)8-20-11-10(13)6-9(7-16-11)21(15,18)19/h6-7H,2-5,8H2,1H3,(H2,15,18,19)
InChIKeyKFLNLMIFHUDOHM-UHFFFAOYSA-N
MW337.80 g/mol
LogP1.20
Rot. Bonds4

About 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126600) has the molecular formula C12H17ClFN3O3S and a molecular weight of 337.80 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
PubChem CID67126600
Molecular FormulaC12H17ClFN3O3S
Molecular Weight337.80 g/mol
Exact Mass337.07
IUPAC Name5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCN1CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C12H17ClFN3O3S/c1-17-4-2-12(14,3-5-17)8-20-11-10(13)6-9(7-16-11)21(15,18)19/h6-7H,2-5,8H2,1H3,(H2,15,18,19)
InChIKeyKFLNLMIFHUDOHM-UHFFFAOYSA-N
XLogP1.20
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 51.20
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-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide (CID 67126600) is 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide is CN1CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
The InChIKey is KFLNLMIFHUDOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O3S/c1-17-4-2-12(14,3-5-17)8-20-11-10(13)6-9(7-16-11)21(15,18)19/h6-7H,2-5,8H2,1H3,(H2,15,18,19).
What are the key properties of 5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide has a molecular weight of 337.80 g/mol, XLogP of 1.20, 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-fluoro-1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).