2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C13H20N2O4S — CID 63298346

IUPAC2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-7-14-9-10)20(16,17)13-5-4-11(18-2)8-12(13)19-3/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyRPXAGQXFLYHEQU-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.69
Rot. Bonds5

About 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63298346) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63298346
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-7-14-9-10)20(16,17)13-5-4-11(18-2)8-12(13)19-3/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyRPXAGQXFLYHEQU-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120875651
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
3-bromo-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709910
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
4-bromo-5-fluoro-2-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120707436
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 66185246
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978738
N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118772
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63298346) is 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCNC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is RPXAGQXFLYHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(10-6-7-14-9-10)20(16,17)13-5-4-11(18-2)8-12(13)19-3/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63298346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).