3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide

C17H19NO5S — CID 174695598

IUPAC3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)17(19)13-7-10-15(22-3)16(11-13)23-4/h5-11H,1-4H3
InChIKeyRVETYHBSAIMPNE-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.47
Rot. Bonds5

About 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide

3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 174695598) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID174695598
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)17(19)13-7-10-15(22-3)16(11-13)23-4/h5-11H,1-4H3
InChIKeyRVETYHBSAIMPNE-UHFFFAOYSA-N
XLogP2.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514939
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
N-methyl-N-(4-methylphenyl)sulfonyl-4-nitrobenzamide
CID 138964828
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3274106
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide (CID 174695598) is 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide is COc1ccc(C(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is RVETYHBSAIMPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-5-8-14(9-6-12)24(20,21)18(2)17(19)13-7-10-15(22-3)16(11-13)23-4/h5-11H,1-4H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide?
3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 349.41 g/mol, XLogP of 2.47, 5 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-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 174695598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).