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

C13H17ClN2O2S — CID 11950046

IUPAC2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN2CCCC2C1
InChIInChI=1S/C13H17ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyPBALDNXUTOWTCG-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.81
Rot. Bonds2

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

2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 11950046) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID11950046
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN2CCCC2C1
InChIInChI=1S/C13H17ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyPBALDNXUTOWTCG-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 11950046) is 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccccc1Cl)N1CCN2CCCC2C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PBALDNXUTOWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-12-5-1-2-6-13(12)19(17,18)16-9-8-15-7-3-4-11(15)10-16/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-chlorophenyl)sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 300.81 g/mol, XLogP of 1.81, 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-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 11950046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).