4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

C11H14N2O4S — CID 82911782

IUPAC4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C11H14N2O4S/c1-13-7-6-10(11(13)14)17-8-2-4-9(5-3-8)18(12,15)16/h2-5,10H,6-7H2,1H3,(H2,12,15,16)
InChIKeyZYOZCHJXDTXXNH-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.06
Rot. Bonds3

About 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (PubChem CID 82911782) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
PubChem CID82911782
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C11H14N2O4S/c1-13-7-6-10(11(13)14)17-8-2-4-9(5-3-8)18(12,15)16/h2-5,10H,6-7H2,1H3,(H2,12,15,16)
InChIKeyZYOZCHJXDTXXNH-UHFFFAOYSA-N
XLogP-0.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The IUPAC name of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (CID 82911782) is 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.
What is the SMILES notation for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The canonical SMILES for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is CN1CCC(Oc2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The InChIKey is ZYOZCHJXDTXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-13-7-6-10(11(13)14)17-8-2-4-9(5-3-8)18(12,15)16/h2-5,10H,6-7H2,1H3,(H2,12,15,16).
What are the key properties of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is sourced from PubChem (CID 82911782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).