N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C14H20N2O3S — CID 2973461

IUPACN,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-16(4-2)20(18,19)13-7-5-11(6-8-13)12-9-14(17)15-10-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeySJQFAYNSLYYODE-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.32
Rot. Bonds5

About N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 2973461) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID2973461
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-16(4-2)20(18,19)13-7-5-11(6-8-13)12-9-14(17)15-10-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeySJQFAYNSLYYODE-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 2973461) is N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is SJQFAYNSLYYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-16(4-2)20(18,19)13-7-5-11(6-8-13)12-9-14(17)15-10-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2973461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).