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

C17H14F2N2O2S2 — CID 43994388

IUPAC2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2C1c1cccs1
InChIInChI=1S/C17H14F2N2O2S2/c18-12-5-6-16(13(19)11-12)25(22,23)21-9-8-20-7-1-3-14(20)17(21)15-4-2-10-24-15/h1-7,10-11,17H,8-9H2
InChIKeyGAGZIVDZFUMWSB-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.62
Rot. Bonds3

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

2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994388) has the molecular formula C17H14F2N2O2S2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994388
Molecular FormulaC17H14F2N2O2S2
Molecular Weight380.44 g/mol
Exact Mass380.05
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2C1c1cccs1
InChIInChI=1S/C17H14F2N2O2S2/c18-12-5-6-16(13(19)11-12)25(22,23)21-9-8-20-7-1-3-14(20)17(21)15-4-2-10-24-15/h1-7,10-11,17H,8-9H2
InChIKeyGAGZIVDZFUMWSB-UHFFFAOYSA-N
XLogP3.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994007
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994353
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994316
(1S)-2-(2,4-difluorophenyl)sulfonyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554134
(1R)-2-(4-methylphenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387284
(1R)-1-(4-fluorophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387066
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994037
2-(2,5-difluorophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580459
1-phenyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16803433
(1S)-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387119
(1S)-N-(4-fluorophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589973
3-(2,4-difluorophenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994388) is 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2C1c1cccs1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GAGZIVDZFUMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S2/c18-12-5-6-16(13(19)11-12)25(22,23)21-9-8-20-7-1-3-14(20)17(21)15-4-2-10-24-15/h1-7,10-11,17H,8-9H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 380.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).