4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide

C14H20N2O3S — CID 162650520

IUPAC4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)15-20(18,19)13-6-4-11(5-7-13)12-8-14(17)16(3)9-12/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyYCPLCUWXXZAXSX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.32
Rot. Bonds4

About 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide

4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 162650520) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID162650520
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)15-20(18,19)13-6-4-11(5-7-13)12-8-14(17)16(3)9-12/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyYCPLCUWXXZAXSX-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide (CID 162650520) is 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1.
What is the InChIKey of 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YCPLCUWXXZAXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)15-20(18,19)13-6-4-11(5-7-13)12-8-14(17)16(3)9-12/h4-7,10,12,15H,8-9H2,1-3H3.
What are the key properties of 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide?
4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 162650520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).