dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate

C23H19ClN2O7S — CID 92674919

IUPACdimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C23H19ClN2O7S/c1-32-22(28)15-8-10-17(23(29)33-2)20(13-15)25-21(27)14-9-11-19(18(24)12-14)26-34(30,31)16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27)
InChIKeyHFKOLVBMTCAKNN-UHFFFAOYSA-N
MW502.93 g/mol
LogP3.97
Rot. Bonds7

About dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate (PubChem CID 92674919) has the molecular formula C23H19ClN2O7S and a molecular weight of 502.93 g/mol. Its IUPAC name is dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
PubChem CID92674919
Molecular FormulaC23H19ClN2O7S
Molecular Weight502.93 g/mol
Exact Mass502.06
IUPAC Namedimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C23H19ClN2O7S/c1-32-22(28)15-8-10-17(23(29)33-2)20(13-15)25-21(27)14-9-11-19(18(24)12-14)26-34(30,31)16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27)
InChIKeyHFKOLVBMTCAKNN-UHFFFAOYSA-N
XLogP3.97
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate 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-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate (CID 92674919) is dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1.
What is the InChIKey of dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is HFKOLVBMTCAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O7S/c1-32-22(28)15-8-10-17(23(29)33-2)20(13-15)25-21(27)14-9-11-19(18(24)12-14)26-34(30,31)16-6-4-3-5-7-16/h3-13,26H,1-2H3,(H,25,27).
What are the key properties of dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 502.93 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 92674919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).