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

C19H17FN2O2S — CID 16823479

IUPAC2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c20-16-10-8-15(9-11-16)19-18-7-4-12-21(18)13-14-22(19)25(23,24)17-5-2-1-3-6-17/h1-12,19H,13-14H2
InChIKeyXBUDLWFNEOFXRU-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.42
Rot. Bonds3

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

2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 16823479) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID16823479
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c20-16-10-8-15(9-11-16)19-18-7-4-12-21(18)13-14-22(19)25(23,24)17-5-2-1-3-6-17/h1-12,19H,13-14H2
InChIKeyXBUDLWFNEOFXRU-UHFFFAOYSA-N
XLogP3.42
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-1-(4-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

Vonoprazan
CID 15981397
1-(Phenylsulfonyl)-1H-indole
CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892
N-benzenesulfonylgramine antagonist, 8
CID 11723168
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1-(1-naphthylsulfonyl)indole
CID 9931929
4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 16823479) is 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is XBUDLWFNEOFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-16-10-8-15(9-11-16)19-18-7-4-12-21(18)13-14-22(19)25(23,24)17-5-2-1-3-6-17/h1-12,19H,13-14H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 356.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 16823479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).