methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate

C15H15NO5S — CID 737695

IUPACmethyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-12-5-3-11(4-6-12)15(17)21-2/h3-10,16H,1-2H3
InChIKeyHSGGNQQCFZQDOM-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.28
Rot. Bonds5

About methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate

methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 737695) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID737695
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-12-5-3-11(4-6-12)15(17)21-2/h3-10,16H,1-2H3
InChIKeyHSGGNQQCFZQDOM-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 4-[(4-methoxyphenyl)sulfonylamino]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

4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate
CID 127139
4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3,4-dimethoxy-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide
CID 713216
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
4-{[(2-Methoxyphenyl)amino]sulfonyl}benzamide
CID 2098777
S-[2-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11280414
Thioacetic acid S-{2-oxo-2-[4-(4-trifluoromethoxy-benzenesulfonylamino)-phenyl]-ethyl}ester
CID 11430433
S-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11625086
4-(N-(2-acetylphenyl)sulfamoyl)phenyl pivalate
CID 118202506

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 737695) is methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is HSGGNQQCFZQDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-12-5-3-11(4-6-12)15(17)21-2/h3-10,16H,1-2H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate?
methyl 4-[(4-methoxyphenyl)sulfonylamino]benzoate 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 4-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 737695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).