1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C13H18N2O5S — CID 168717594

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)cc1OC
InChIInChI=1S/C13H18N2O5S/c1-8-4-11(19-2)12(20-3)6-10(8)15-7-9(5-13(15)16)21(14,17)18/h4,6,9H,5,7H2,1-3H3,(H2,14,17,18)
InChIKeyFFUWDXXTLUMPIR-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.41
Rot. Bonds4

About 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717594) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717594
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)cc1OC
InChIInChI=1S/C13H18N2O5S/c1-8-4-11(19-2)12(20-3)6-10(8)15-7-9(5-13(15)16)21(14,17)18/h4,6,9H,5,7H2,1-3H3,(H2,14,17,18)
InChIKeyFFUWDXXTLUMPIR-UHFFFAOYSA-N
XLogP0.41
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
methyl 2-fluoro-4-methyl-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717592
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
[1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675862
1-(4-bromo-5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717371
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717594) is 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is FFUWDXXTLUMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-8-4-11(19-2)12(20-3)6-10(8)15-7-9(5-13(15)16)21(14,17)18/h4,6,9H,5,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).