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

C19H16F2N2O2S — CID 16823481

IUPAC2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N2O2S/c20-16-9-8-14(13-17(16)21)19-18-7-4-10-22(18)11-12-23(19)26(24,25)15-5-2-1-3-6-15/h1-10,13,19H,11-12H2
InChIKeyYCWVVRDANRPBJR-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.56
Rot. Bonds3

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

2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 16823481) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID16823481
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N2O2S/c20-16-9-8-14(13-17(16)21)19-18-7-4-10-22(18)11-12-23(19)26(24,25)15-5-2-1-3-6-15/h1-10,13,19H,11-12H2
InChIKeyYCWVVRDANRPBJR-UHFFFAOYSA-N
XLogP3.56
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 16823481) is 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccccc1)N1CCn2cccc2C1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is YCWVVRDANRPBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c20-16-9-8-14(13-17(16)21)19-18-7-4-10-22(18)11-12-23(19)26(24,25)15-5-2-1-3-6-15/h1-10,13,19H,11-12H2.
What are the key properties of 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 374.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 16823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).