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

C17H20FN3O4S — CID 91920383

IUPAC4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4S/c1-25-10-9-21-14(12-20-8-2-3-16(20)17(21)22)11-19-26(23,24)15-6-4-13(18)5-7-15/h2-8,14,19H,9-12H2,1H3
InChIKeyPRUPFSIKTWGFBJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.08
Rot. Bonds7

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

4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide (PubChem CID 91920383) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
PubChem CID91920383
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4S/c1-25-10-9-21-14(12-20-8-2-3-16(20)17(21)22)11-19-26(23,24)15-6-4-13(18)5-7-15/h2-8,14,19H,9-12H2,1H3
InChIKeyPRUPFSIKTWGFBJ-UHFFFAOYSA-N
XLogP1.08
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide (CID 91920383) is 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide is COCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The InChIKey is PRUPFSIKTWGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-25-10-9-21-14(12-20-8-2-3-16(20)17(21)22)11-19-26(23,24)15-6-4-13(18)5-7-15/h2-8,14,19H,9-12H2,1H3.
What are the key properties of 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91920383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).