2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H16Cl2N2O2S — CID 6466539

IUPAC2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN2CCCC2C1
InChIInChI=1S/C13H16Cl2N2O2S/c14-10-3-4-12(15)13(8-10)20(18,19)17-7-6-16-5-1-2-11(16)9-17/h3-4,8,11H,1-2,5-7,9H2
InChIKeyXMZXJDXLAMJYGV-UHFFFAOYSA-N
MW335.26 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 6466539) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID6466539
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC Name2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN2CCCC2C1
InChIInChI=1S/C13H16Cl2N2O2S/c14-10-3-4-12(15)13(8-10)20(18,19)17-7-6-16-5-1-2-11(16)9-17/h3-4,8,11H,1-2,5-7,9H2
InChIKeyXMZXJDXLAMJYGV-UHFFFAOYSA-N
XLogP2.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-[(2,5-dichlorophenyl)sulfonyl]-
CID 646492
1-[(2,5-Dichlorophenyl)sulfonyl]pyrrolidine
CID 767694
3-[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 2576672
2-[(2,4,5-Trichlorophenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466850
1-(2,5-Dichloro benzene)-sulfonyl-cis-2,6-dimethyl piperidine
CID 44245424
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
2-[(4-Chlorophenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6467461
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57403903
1-[(4-Chlorophenyl)sulfonyl]-4-cyclopentylpiperazine
CID 764837
2,5-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 710741
1-(2,5-Dichlorophenyl)sulfonyl-2-methylpiperidine
CID 2806413
1-[(2,5-Dichlorophenyl)sulfonyl]-4-methylpiperazine
CID 779062

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 6466539) is 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN2CCCC2C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is XMZXJDXLAMJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c14-10-3-4-12(15)13(8-10)20(18,19)17-7-6-16-5-1-2-11(16)9-17/h3-4,8,11H,1-2,5-7,9H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 335.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 6466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).