2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

C16H18FN3O3S — CID 53179678

IUPAC2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O
InChIInChI=1S/C16H18FN3O3S/c1-2-19-7-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-3-4-6-14(12)17/h3-6,9,11,18H,2,7-8,10H2,1H3
InChIKeyLHBGFOPCGNYWPD-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.58
Rot. Bonds5

About 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179678) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179678
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O
InChIInChI=1S/C16H18FN3O3S/c1-2-19-7-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-3-4-6-14(12)17/h3-6,9,11,18H,2,7-8,10H2,1H3
InChIKeyLHBGFOPCGNYWPD-UHFFFAOYSA-N
XLogP1.58
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide 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 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179678) is 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is CCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O.
What is the InChIKey of 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is LHBGFOPCGNYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-2-19-7-8-20-11-13(9-15(20)16(19)21)24(22,23)18-10-12-5-3-4-6-14(12)17/h3-6,9,11,18H,2,7-8,10H2,1H3.
What are the key properties of 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 351.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).