3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide

C15H15FN4O3S — CID 92555713

IUPAC3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc2nc([C@H](C)NS(=O)(=O)c3cccc(F)c3)cc(=O)n2[nH]1
InChIInChI=1S/C15H15FN4O3S/c1-9-6-14-17-13(8-15(21)20(14)18-9)10(2)19-24(22,23)12-5-3-4-11(16)7-12/h3-8,10,18-19H,1-2H3/t10-/m0/s1
InChIKeyOSUKQAFGHVPIGX-JTQLQIEISA-N
MW350.38 g/mol
LogP1.51
Rot. Bonds4

About 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide

3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide (PubChem CID 92555713) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide
PubChem CID92555713
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc2nc([C@H](C)NS(=O)(=O)c3cccc(F)c3)cc(=O)n2[nH]1
InChIInChI=1S/C15H15FN4O3S/c1-9-6-14-17-13(8-15(21)20(14)18-9)10(2)19-24(22,23)12-5-3-4-11(16)7-12/h3-8,10,18-19H,1-2H3/t10-/m0/s1
InChIKeyOSUKQAFGHVPIGX-JTQLQIEISA-N
XLogP1.51
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
CID 65033552
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide (CID 92555713) is 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide is Cc1cc2nc([C@H](C)NS(=O)(=O)c3cccc(F)c3)cc(=O)n2[nH]1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide?
The InChIKey is OSUKQAFGHVPIGX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-9-6-14-17-13(8-15(21)20(14)18-9)10(2)19-24(22,23)12-5-3-4-11(16)7-12/h3-8,10,18-19H,1-2H3/t10-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 92555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).