2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C19H15F3N2O2S — CID 18580459

IUPAC2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCn2cccc2C1c1ccccc1F
InChIInChI=1S/C19H15F3N2O2S/c20-13-7-8-16(22)18(12-13)27(25,26)24-11-10-23-9-3-6-17(23)19(24)14-4-1-2-5-15(14)21/h1-9,12,19H,10-11H2
InChIKeyPRBLWAOLRCJVCC-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.70
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 18580459) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID18580459
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCn2cccc2C1c1ccccc1F
InChIInChI=1S/C19H15F3N2O2S/c20-13-7-8-16(22)18(12-13)27(25,26)24-11-10-23-9-3-6-17(23)19(24)14-4-1-2-5-15(14)21/h1-9,12,19H,10-11H2
InChIKeyPRBLWAOLRCJVCC-UHFFFAOYSA-N
XLogP3.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994037
2-(2,4-difluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994007
(1S)-2-(4-bromophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553828
4-[[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzoic acid
CID 43994020
2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994388
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994353
(1R)-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553940
(1S)-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387119
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994145
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994316
2-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55689553
(1S)-2-(2,4-difluorophenyl)sulfonyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554134

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 18580459) is 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1cc(F)ccc1F)N1CCn2cccc2C1c1ccccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PRBLWAOLRCJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-13-7-8-16(22)18(12-13)27(25,26)24-11-10-23-9-3-6-17(23)19(24)14-4-1-2-5-15(14)21/h1-9,12,19H,10-11H2.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 392.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 18580459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).