4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide

C13H18N2O4S — CID 90455170

IUPAC4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(17,18)11-6-4-10(5-7-11)15-9-8-12(19-3)13(15)16/h4-7,12H,8-9H2,1-3H3
InChIKeyGJUREHNNTBHMNP-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.69
Rot. Bonds4

About 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide

4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 90455170) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID90455170
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(17,18)11-6-4-10(5-7-11)15-9-8-12(19-3)13(15)16/h4-7,12H,8-9H2,1-3H3
InChIKeyGJUREHNNTBHMNP-UHFFFAOYSA-N
XLogP0.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 90455170) is 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide is COC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)C1=O.
What is the InChIKey of 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is GJUREHNNTBHMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14(2)20(17,18)11-6-4-10(5-7-11)15-9-8-12(19-3)13(15)16/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide?
4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 90455170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).