4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide

C15H16FN3O3S — CID 91909632

IUPAC4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
SMILESCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c1-18-12(10-19-8-2-3-14(19)15(18)20)9-17-23(21,22)13-6-4-11(16)5-7-13/h2-8,12,17H,9-10H2,1H3
InChIKeyXAIQCOOESJHBTJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.06
Rot. Bonds4

About 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide

4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide (PubChem CID 91909632) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
PubChem CID91909632
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
SMILESCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3S/c1-18-12(10-19-8-2-3-14(19)15(18)20)9-17-23(21,22)13-6-4-11(16)5-7-13/h2-8,12,17H,9-10H2,1H3
InChIKeyXAIQCOOESJHBTJ-UHFFFAOYSA-N
XLogP1.06
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide (CID 91909632) is 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide is CN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is XAIQCOOESJHBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-18-12(10-19-8-2-3-14(19)15(18)20)9-17-23(21,22)13-6-4-11(16)5-7-13/h2-8,12,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 337.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91909632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).