methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate

C21H18N2O5S — CID 1289514

IUPACmethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O5S/c1-28-21(25)15-11-13-16(14-12-15)22-20(24)18-9-5-6-10-19(18)23-29(26,27)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,22,24)
InChIKeyFTOXJSMDKHMORW-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.53
Rot. Bonds6

About methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate

methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate (PubChem CID 1289514) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate
PubChem CID1289514
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Namemethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O5S/c1-28-21(25)15-11-13-16(14-12-15)22-20(24)18-9-5-6-10-19(18)23-29(26,27)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,22,24)
InChIKeyFTOXJSMDKHMORW-UHFFFAOYSA-N
XLogP3.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(benzenesulfonamido)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

4-(Propylsulfonyl)benzyl 4-(acetylamino)benzoate
CID 1300264
Methyl 4-({[1-(methylsulfonyl)piperidin-3-yl]carbonyl}amino)benzoate
CID 4234809
Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
CID 726578
Methyl 4-(1-tosylpyrrolidine-2-carboxamido)benzoate
CID 4159774
Ethyl 4-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)benzoate
CID 1071005
Ethyl 2-((2-((methylsulphonyl)amino)benzoyl)amino)benzoate
CID 1266830
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
Methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
CID 24854952
Ethyl 4-{[(2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]amino}benzoate
CID 705243
Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester
CID 3071102
Methyl 4-({2-[methyl(phenylsulfonyl)amino]benzoyl}amino)benzoate
CID 1006879
4-({3-[(4-Acetylanilino)sulfonyl]-4-methylbenzoyl}amino)benzoic acid
CID 1144137

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate (CID 1289514) is methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate?
The InChIKey is FTOXJSMDKHMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-28-21(25)15-11-13-16(14-12-15)22-20(24)18-9-5-6-10-19(18)23-29(26,27)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,22,24).
What are the key properties of methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate?
methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate has a molecular weight of 410.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(benzenesulfonamido)benzoyl]amino]benzoate is sourced from PubChem (CID 1289514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).