methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate

C23H17ClN2O5S2 — CID 121041115

IUPACmethyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O5S2/c1-31-23(28)21-20(17-7-3-5-9-19(17)32-21)25-22(27)16-6-2-4-8-18(16)26-33(29,30)15-12-10-14(24)11-13-15/h2-13,26H,1H3,(H,25,27)
InChIKeyOZMVKBPHZAZKGS-UHFFFAOYSA-N
MW500.99 g/mol
LogP5.39
Rot. Bonds6

About methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate

methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate (PubChem CID 121041115) has the molecular formula C23H17ClN2O5S2 and a molecular weight of 500.99 g/mol. Its IUPAC name is methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
PubChem CID121041115
Molecular FormulaC23H17ClN2O5S2
Molecular Weight500.99 g/mol
Exact Mass500.03
IUPAC Namemethyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O5S2/c1-31-23(28)21-20(17-7-3-5-9-19(17)32-21)25-22(27)16-6-2-4-8-18(16)26-33(29,30)15-12-10-14(24)11-13-15/h2-13,26H,1H3,(H,25,27)
InChIKeyOZMVKBPHZAZKGS-UHFFFAOYSA-N
XLogP5.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate 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

diethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121041096
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 6024110
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040700
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041109
ethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 121041238
methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1-benzothiophene-2-carboxylate
CID 7545545
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate (CID 121041115) is methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate?
The InChIKey is OZMVKBPHZAZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5S2/c1-31-23(28)21-20(17-7-3-5-9-19(17)32-21)25-22(27)16-6-2-4-8-18(16)26-33(29,30)15-12-10-14(24)11-13-15/h2-13,26H,1H3,(H,25,27).
What are the key properties of methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate?
methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate has a molecular weight of 500.99 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 121041115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).