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

C15H22N2O3S — CID 162671082

IUPACN,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)14-8-6-12(7-9-14)13-10-15(18)16(3)11-13/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyIGPGXOXUNYLCQO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.66
Rot. Bonds5

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

N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 162671082) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID162671082
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)14-8-6-12(7-9-14)13-10-15(18)16(3)11-13/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyIGPGXOXUNYLCQO-UHFFFAOYSA-N
XLogP1.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 162671082) is N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C2CC(=O)N(C)C2)cc1.
What is the InChIKey of N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is IGPGXOXUNYLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)14-8-6-12(7-9-14)13-10-15(18)16(3)11-13/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 162671082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).