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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).