methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate

C17H19NO6S — CID 28632724

IUPACmethyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO6S/c1-22-14-8-9-16(23-2)15(10-14)18-25(20,21)11-12-4-6-13(7-5-12)17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyHGLNQBZUWTVHSX-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.43
Rot. Bonds7

About methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate

methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate (PubChem CID 28632724) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
PubChem CID28632724
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO6S/c1-22-14-8-9-16(23-2)15(10-14)18-25(20,21)11-12-4-6-13(7-5-12)17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyHGLNQBZUWTVHSX-UHFFFAOYSA-N
XLogP2.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate 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

methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
methyl 4-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoylmethyl]benzoate
CID 92646898
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
methyl 4-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]sulfamoylmethyl]benzoate
CID 93486713
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate (CID 28632724) is methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate?
The InChIKey is HGLNQBZUWTVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-14-8-9-16(23-2)15(10-14)18-25(20,21)11-12-4-6-13(7-5-12)17(19)24-3/h4-10,18H,11H2,1-3H3.
What are the key properties of methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate?
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate has a molecular weight of 365.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 28632724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).