3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C15H22N2O5S — CID 969641

IUPAC3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-16(11-15(18)17-8-4-5-9-17)23(19,20)12-6-7-13(21-2)14(10-12)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyMINMBHJOLSWWDR-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.95
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 969641) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID969641
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-16(11-15(18)17-8-4-5-9-17)23(19,20)12-6-7-13(21-2)14(10-12)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyMINMBHJOLSWWDR-UHFFFAOYSA-N
XLogP0.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 969641) is 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is MINMBHJOLSWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16(11-15(18)17-8-4-5-9-17)23(19,20)12-6-7-13(21-2)14(10-12)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).