(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C16H18Cl2N2O2S — CID 29346767

IUPAC(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-10-9-13(17)11(2)16(15(10)18)23(21,22)20-8-7-19-6-4-5-14(19)12(20)3/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyUKCGUKAAPGJODM-GFCCVEGCSA-N
MW373.31 g/mol
LogP4.18
Rot. Bonds2

About (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 29346767) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID29346767
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1Cl
InChIInChI=1S/C16H18Cl2N2O2S/c1-10-9-13(17)11(2)16(15(10)18)23(21,22)20-8-7-19-6-4-5-14(19)12(20)3/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyUKCGUKAAPGJODM-GFCCVEGCSA-N
XLogP4.18
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 29346767) is (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1Cl.
What is the InChIKey of (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is UKCGUKAAPGJODM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-10-9-13(17)11(2)16(15(10)18)23(21,22)20-8-7-19-6-4-5-14(19)12(20)3/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 373.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 29346767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).