5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide

C11H15FN2O3S — CID 95255609

IUPAC5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cncc(F)c1)[C@@H]1CCCO1
InChIInChI=1S/C11H15FN2O3S/c1-8(11-3-2-4-17-11)14-18(15,16)10-5-9(12)6-13-7-10/h5-8,11,14H,2-4H2,1H3/t8-,11+/m1/s1
InChIKeyFMFVBVQVESUURO-KCJUWKMLSA-N
MW274.32 g/mol
LogP1.07
Rot. Bonds4

About 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide

5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 95255609) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide
PubChem CID95255609
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cncc(F)c1)[C@@H]1CCCO1
InChIInChI=1S/C11H15FN2O3S/c1-8(11-3-2-4-17-11)14-18(15,16)10-5-9(12)6-13-7-10/h5-8,11,14H,2-4H2,1H3/t8-,11+/m1/s1
InChIKeyFMFVBVQVESUURO-KCJUWKMLSA-N
XLogP1.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide (CID 95255609) is 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1cncc(F)c1)[C@@H]1CCCO1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is FMFVBVQVESUURO-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-8(11-3-2-4-17-11)14-18(15,16)10-5-9(12)6-13-7-10/h5-8,11,14H,2-4H2,1H3/t8-,11+/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide?
5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 95255609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).