3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide

C16H19N3O4S — CID 91909633

IUPAC3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)c1
InChIInChI=1S/C16H19N3O4S/c1-18-12(11-19-8-4-7-15(19)16(18)20)10-17-24(21,22)14-6-3-5-13(9-14)23-2/h3-9,12,17H,10-11H2,1-2H3
InChIKeyDKXVPWLEMLIRQI-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.93
Rot. Bonds5

About 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide

3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide (PubChem CID 91909633) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
PubChem CID91909633
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)c1
InChIInChI=1S/C16H19N3O4S/c1-18-12(11-19-8-4-7-15(19)16(18)20)10-17-24(21,22)14-6-3-5-13(9-14)23-2/h3-9,12,17H,10-11H2,1-2H3
InChIKeyDKXVPWLEMLIRQI-UHFFFAOYSA-N
XLogP0.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide (CID 91909633) is 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)c1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is DKXVPWLEMLIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-18-12(11-19-8-4-7-15(19)16(18)20)10-17-24(21,22)14-6-3-5-13(9-14)23-2/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide?
3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91909633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).