N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide

C15H22N2O5S2 — CID 3161857

IUPACN-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S2/c1-10-9-11(2)15(12(3)14(10)16(4)23(5,19)20)24(21,22)17-8-6-7-13(17)18/h9H,6-8H2,1-5H3
InChIKeyQZWQPIGNXLLSTL-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide

N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide (PubChem CID 3161857) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide
PubChem CID3161857
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S2/c1-10-9-11(2)15(12(3)14(10)16(4)23(5,19)20)24(21,22)17-8-6-7-13(17)18/h9H,6-8H2,1-5H3
InChIKeyQZWQPIGNXLLSTL-UHFFFAOYSA-N
XLogP1.32
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide (CID 3161857) is N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide is Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide?
The InChIKey is QZWQPIGNXLLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-10-9-11(2)15(12(3)14(10)16(4)23(5,19)20)24(21,22)17-8-6-7-13(17)18/h9H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide?
N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide has a molecular weight of 374.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2,4,6-trimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]methanesulfonamide is sourced from PubChem (CID 3161857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).