3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide

C9H13FN2O3S — CID 75443925

IUPAC3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide
SMILESO=c1ccc(CNS(=O)(=O)CCCF)c[nH]1
InChIInChI=1S/C9H13FN2O3S/c10-4-1-5-16(14,15)12-7-8-2-3-9(13)11-6-8/h2-3,6,12H,1,4-5,7H2,(H,11,13)
InChIKeyPSRLEVUEQOCMGC-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.15
Rot. Bonds6

About 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide

3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 75443925) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide
PubChem CID75443925
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide
SMILESO=c1ccc(CNS(=O)(=O)CCCF)c[nH]1
InChIInChI=1S/C9H13FN2O3S/c10-4-1-5-16(14,15)12-7-8-2-3-9(13)11-6-8/h2-3,6,12H,1,4-5,7H2,(H,11,13)
InChIKeyPSRLEVUEQOCMGC-UHFFFAOYSA-N
XLogP0.15
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 75387120
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
CID 60910335
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
3-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 107232812
5-[[(4-fluoro-1H-pyrazol-5-yl)amino]methyl]-1H-pyridin-2-one
CID 71278242
5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
CID 67817743
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
CID 18314087
N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116815160
N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide (CID 75443925) is 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide is O=c1ccc(CNS(=O)(=O)CCCF)c[nH]1.
What is the InChIKey of 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is PSRLEVUEQOCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c10-4-1-5-16(14,15)12-7-8-2-3-9(13)11-6-8/h2-3,6,12H,1,4-5,7H2,(H,11,13).
What are the key properties of 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide?
3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(6-oxo-1H-pyridin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 75443925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).