N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

C13H18N2O3S — CID 7635974

IUPACN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C13H18N2O3S/c1-3-19(17,18)14-11-7-6-10(2)12(9-11)15-8-4-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyMPAYPYYMULDIAZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.88
Rot. Bonds4

About N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 7635974) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
PubChem CID7635974
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C13H18N2O3S/c1-3-19(17,18)14-11-7-6-10(2)12(9-11)15-8-4-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyMPAYPYYMULDIAZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide (CID 7635974) is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1.
What is the InChIKey of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is MPAYPYYMULDIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-19(17,18)14-11-7-6-10(2)12(9-11)15-8-4-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide?
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 7635974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).