methyl 4-(4-sulfamoylphenyl)benzoate

C14H13NO4S — CID 122194771

IUPACmethyl 4-(4-sulfamoylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13NO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3,(H2,15,17,18)
InChIKeyLDVISLLDEAZEMG-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.79
Rot. Bonds3

About methyl 4-(4-sulfamoylphenyl)benzoate

methyl 4-(4-sulfamoylphenyl)benzoate (PubChem CID 122194771) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 4-(4-sulfamoylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-sulfamoylphenyl)benzoate
PubChem CID122194771
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl 4-(4-sulfamoylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13NO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3,(H2,15,17,18)
InChIKeyLDVISLLDEAZEMG-UHFFFAOYSA-N
XLogP1.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-sulfamoylphenyl)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

iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
dimethyl 5-[[2-(4-sulfamoylbenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55312802
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 4-(2-aminoethylsulfonyl)benzoate
CID 66688215
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide
CID 174843361
butyl 4-sulfamoylbenzoate
CID 23274639

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-sulfamoylphenyl)benzoate?
The IUPAC name of methyl 4-(4-sulfamoylphenyl)benzoate (CID 122194771) is methyl 4-(4-sulfamoylphenyl)benzoate.
What is the SMILES notation for methyl 4-(4-sulfamoylphenyl)benzoate?
The canonical SMILES for methyl 4-(4-sulfamoylphenyl)benzoate is COC(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of methyl 4-(4-sulfamoylphenyl)benzoate?
The InChIKey is LDVISLLDEAZEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3,(H2,15,17,18).
What are the key properties of methyl 4-(4-sulfamoylphenyl)benzoate?
methyl 4-(4-sulfamoylphenyl)benzoate has a molecular weight of 291.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-sulfamoylphenyl)benzoate is sourced from PubChem (CID 122194771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).