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

C15H18N2O3S — CID 4827451

IUPAC2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCn2cccc2C1C
InChIInChI=1S/C15H18N2O3S/c1-12-13-6-5-9-16(13)10-11-17(12)21(18,19)15-8-4-3-7-14(15)20-2/h3-9,12H,10-11H2,1-2H3
InChIKeyZJPAYSUNJVKPJQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds3

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

2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 4827451) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID4827451
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1S(=O)(=O)N1CCn2cccc2C1C
InChIInChI=1S/C15H18N2O3S/c1-12-13-6-5-9-16(13)10-11-17(12)21(18,19)15-8-4-3-7-14(15)20-2/h3-9,12H,10-11H2,1-2H3
InChIKeyZJPAYSUNJVKPJQ-UHFFFAOYSA-N
XLogP2.26
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)sulfonyl]-1H-pyrrole
CID 831626
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
1-(6-Methoxypyridin-3-yl)sulfonyl-4-methylpiperazine
CID 2991320
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 893397
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
5-fluoro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 16654595
2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 786080
3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 768995
4-Methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 771985
[(4-Methoxyphenyl)sulfonyl](2-(2-pyridyl)ethyl)amine
CID 2479319
2,5-diethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775813

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 4827451) is 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is COc1ccccc1S(=O)(=O)N1CCn2cccc2C1C.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ZJPAYSUNJVKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12-13-6-5-9-16(13)10-11-17(12)21(18,19)15-8-4-3-7-14(15)20-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 306.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 4827451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).