N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C13H18N2O3S — CID 162651526

IUPACN-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-14-19(17,18)12-6-4-10(5-7-12)11-8-13(16)15(2)9-11/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyNCRQRNQICZGRPQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 162651526) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID162651526
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-14-19(17,18)12-6-4-10(5-7-12)11-8-13(16)15(2)9-11/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyNCRQRNQICZGRPQ-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 162651526) is N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1.
What is the InChIKey of N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is NCRQRNQICZGRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-14-19(17,18)12-6-4-10(5-7-12)11-8-13(16)15(2)9-11/h4-7,11,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 162651526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).