2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C14H20N2O4S — CID 110736595

IUPAC2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C14H20N2O4S/c1-9-5-12(20-4)13(6-10(9)2)21(18,19)15-11-7-14(17)16(3)8-11/h5-6,11,15H,7-8H2,1-4H3
InChIKeyLCWSHAKEIRMKLT-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.82
Rot. Bonds4

About 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 110736595) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID110736595
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C14H20N2O4S/c1-9-5-12(20-4)13(6-10(9)2)21(18,19)15-11-7-14(17)16(3)8-11/h5-6,11,15H,7-8H2,1-4H3
InChIKeyLCWSHAKEIRMKLT-UHFFFAOYSA-N
XLogP0.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
CID 131918128
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 131936491
4-(2,3-dimethoxyphenyl)-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 171386854
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
2-methoxy-5-methyl-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 129433932
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 94798825

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 110736595) is 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is LCWSHAKEIRMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-5-12(20-4)13(6-10(9)2)21(18,19)15-11-7-14(17)16(3)8-11/h5-6,11,15H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110736595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).