5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide

C11H17FN2O3S — CID 62521778

IUPAC5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-3-11(4-2,8-15)14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3
InChIKeyLHGACUJEDUUZDJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.05
Rot. Bonds6

About 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide

5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide (PubChem CID 62521778) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
PubChem CID62521778
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-3-11(4-2,8-15)14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3
InChIKeyLHGACUJEDUUZDJ-UHFFFAOYSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide (CID 62521778) is 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide is CCC(CC)(CO)NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide?
The InChIKey is LHGACUJEDUUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-3-11(4-2,8-15)14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3.
What are the key properties of 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide?
5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 62521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).