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

C13H13ClN2O2S — CID 110646869

IUPAC2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1
InChIInChI=1S/C13H13ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-7H,8-10H2
InChIKeyXHFKMFJCEFTFJE-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.35
Rot. Bonds2

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

2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 110646869) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID110646869
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1
InChIInChI=1S/C13H13ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-7H,8-10H2
InChIKeyXHFKMFJCEFTFJE-UHFFFAOYSA-N
XLogP2.35
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridin-2-one
CID 58724188
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
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1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
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[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
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(11bS)-2-(2-chlorophenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 110646869) is 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is XHFKMFJCEFTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-7H,8-10H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 296.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110646869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).