methyl 3-(benzenesulfonamido)-4-methoxybenzoate

C15H15NO5S — CID 3804370

IUPACmethyl 3-(benzenesulfonamido)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO5S/c1-20-14-9-8-11(15(17)21-2)10-13(14)16-22(18,19)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeySBOYJMJKNGSBQM-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.28
Rot. Bonds5

About methyl 3-(benzenesulfonamido)-4-methoxybenzoate

methyl 3-(benzenesulfonamido)-4-methoxybenzoate (PubChem CID 3804370) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 3-(benzenesulfonamido)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(benzenesulfonamido)-4-methoxybenzoate
PubChem CID3804370
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 3-(benzenesulfonamido)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO5S/c1-20-14-9-8-11(15(17)21-2)10-13(14)16-22(18,19)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeySBOYJMJKNGSBQM-UHFFFAOYSA-N
XLogP2.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(benzenesulfonamido)-4-methoxybenzoate 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-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzenesulfonamido)-4-methoxybenzoate?
The IUPAC name of methyl 3-(benzenesulfonamido)-4-methoxybenzoate (CID 3804370) is methyl 3-(benzenesulfonamido)-4-methoxybenzoate.
What is the SMILES notation for methyl 3-(benzenesulfonamido)-4-methoxybenzoate?
The canonical SMILES for methyl 3-(benzenesulfonamido)-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-(benzenesulfonamido)-4-methoxybenzoate?
The InChIKey is SBOYJMJKNGSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-14-9-8-11(15(17)21-2)10-13(14)16-22(18,19)12-6-4-3-5-7-12/h3-10,16H,1-2H3.
What are the key properties of methyl 3-(benzenesulfonamido)-4-methoxybenzoate?
methyl 3-(benzenesulfonamido)-4-methoxybenzoate has a molecular weight of 321.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzenesulfonamido)-4-methoxybenzoate is sourced from PubChem (CID 3804370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).