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

C12H16N2O3S — CID 7635973

IUPACN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-9-5-6-10(13-18(2,16)17)8-11(9)14-7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCNMDBUMLKMDSHP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.49
Rot. Bonds3

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

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide (PubChem CID 7635973) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
PubChem CID7635973
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-9-5-6-10(13-18(2,16)17)8-11(9)14-7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyCNMDBUMLKMDSHP-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.49
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]methanesulfonamide?
The IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide (CID 7635973) is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is CNMDBUMLKMDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-5-6-10(13-18(2,16)17)8-11(9)14-7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide?
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.49, 3 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]methanesulfonamide is sourced from PubChem (CID 7635973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).