3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate

C17H18NO6S- — CID 9236181

IUPAC3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)c1
InChIInChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-6-5-13(23-3)9-15(14)24-4/h5-9,18H,1-4H3,(H,19,20)/p-1
InChIKeyMNTAHUMYDQVCTM-UHFFFAOYSA-M
MW364.40 g/mol
LogP1.48
Rot. Bonds6

About 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate

3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate (PubChem CID 9236181) has the molecular formula C17H18NO6S- and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
PubChem CID9236181
Molecular FormulaC17H18NO6S-
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)c1
InChIInChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-6-5-13(23-3)9-15(14)24-4/h5-9,18H,1-4H3,(H,19,20)/p-1
InChIKeyMNTAHUMYDQVCTM-UHFFFAOYSA-M
XLogP1.48
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate 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-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516507
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9238951
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate (CID 9236181) is 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate is COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate?
The InChIKey is MNTAHUMYDQVCTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO6S/c1-10-7-12(17(19)20)8-16(11(10)2)25(21,22)18-14-6-5-13(23-3)9-15(14)24-4/h5-9,18H,1-4H3,(H,19,20)/p-1.
What are the key properties of 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate?
3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate has a molecular weight of 364.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate is sourced from PubChem (CID 9236181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).