1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C16H18Cl2N2O2S — CID 18580513

IUPAC1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-2-10-23(21,22)20-9-8-19-7-3-4-15(19)16(20)13-6-5-12(17)11-14(13)18/h3-7,11,16H,2,8-10H2,1H3
InChIKeyBCESVRJIBKDNJV-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.94
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 18580513) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID18580513
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-2-10-23(21,22)20-9-8-19-7-3-4-15(19)16(20)13-6-5-12(17)11-14(13)18/h3-7,11,16H,2,8-10H2,1H3
InChIKeyBCESVRJIBKDNJV-UHFFFAOYSA-N
XLogP3.94
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 18580513) is 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CCCS(=O)(=O)N1CCn2cccc2C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BCESVRJIBKDNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-2-10-23(21,22)20-9-8-19-7-3-4-15(19)16(20)13-6-5-12(17)11-14(13)18/h3-7,11,16H,2,8-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 373.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 18580513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).