4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide

C13H18N2O3S — CID 59465649

IUPAC4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCCC1CCN(c2ccc(S(=O)(=O)NC)cc2)C1=O
InChIInChI=1S/C13H18N2O3S/c1-3-10-8-9-15(13(10)16)11-4-6-12(7-5-11)19(17,18)14-2/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyCNSJSHJKJMKUDE-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.36
Rot. Bonds4

About 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide

4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 59465649) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID59465649
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide
SMILESCCC1CCN(c2ccc(S(=O)(=O)NC)cc2)C1=O
InChIInChI=1S/C13H18N2O3S/c1-3-10-8-9-15(13(10)16)11-4-6-12(7-5-11)19(17,18)14-2/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyCNSJSHJKJMKUDE-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethyl-2-oxopyrrolidin-1-yl)benzenesulfonyl chloride;3-ethyl-1-phenylpyrrolidin-2-one
CID 158057819
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63249525
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146694
2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 115039420
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 62664693
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide (CID 59465649) is 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide is CCC1CCN(c2ccc(S(=O)(=O)NC)cc2)C1=O.
What is the InChIKey of 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is CNSJSHJKJMKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-10-8-9-15(13(10)16)11-4-6-12(7-5-11)19(17,18)14-2/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide?
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 59465649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).