2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H20N2O3S — CID 852268

IUPAC2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-5-6-12(2)13(9-11)20(18,19)15-10-14(17)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyCMZXHSWEBZOANU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.20
Rot. Bonds4

About 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 852268) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID852268
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-5-6-12(2)13(9-11)20(18,19)15-10-14(17)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyCMZXHSWEBZOANU-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 891761
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
2-{[(4-Methylphenyl)sulfonyl]amino}-1-(4-methylpiperidyl)ethan-1-one
CID 801369
N1-cyclopentyl-N2-(2-(1-((2,5-dimethylphenyl)sulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 16829787
N1-benzyl-N2-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829994
N1-((1-((2,5-dimethylphenyl)sulfonyl)pyrrolidin-2-yl)methyl)-N2-phenethyloxalamide
CID 16830012
[2-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 24980298
4-(5-Tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
CID 4881842
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6470483
N,4-dimethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
CID 770953
N-(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)-2-pyrrolidin-1-ylacetamide
CID 3240260

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 852268) is 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CMZXHSWEBZOANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-5-6-12(2)13(9-11)20(18,19)15-10-14(17)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).