methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate

C16H16N2O5S — CID 26583048

IUPACmethyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C16H16N2O5S/c1-17-24(21,22)14-5-3-4-12(10-14)15(19)18-13-8-6-11(7-9-13)16(20)23-2/h3-10,17H,1-2H3,(H,18,19)
InChIKeyRKBREPCTCGLHNS-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.63
Rot. Bonds5

About methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate

methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 26583048) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
PubChem CID26583048
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C16H16N2O5S/c1-17-24(21,22)14-5-3-4-12(10-14)15(19)18-13-8-6-11(7-9-13)16(20)23-2/h3-10,17H,1-2H3,(H,18,19)
InChIKeyRKBREPCTCGLHNS-UHFFFAOYSA-N
XLogP1.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]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-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate (CID 26583048) is methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate is CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is RKBREPCTCGLHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-17-24(21,22)14-5-3-4-12(10-14)15(19)18-13-8-6-11(7-9-13)16(20)23-2/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate?
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 348.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 26583048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).