(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate

C21H17ClN2O5S — CID 43039119

IUPAC(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESNC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-10-18(11-9-17)24-30(27,28)19-3-1-2-16(12-19)21(26)29-13-14-4-6-15(7-5-14)20(23)25/h1-12,24H,13H2,(H2,23,25)
InChIKeyWTPAREMJTPDCIY-UHFFFAOYSA-N
MW444.90 g/mol
LogP3.60
Rot. Bonds7

About (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate

(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 43039119) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID43039119
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESNC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-10-18(11-9-17)24-30(27,28)19-3-1-2-16(12-19)21(26)29-13-14-4-6-15(7-5-14)20(23)25/h1-12,24H,13H2,(H2,23,25)
InChIKeyWTPAREMJTPDCIY-UHFFFAOYSA-N
XLogP3.60
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]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-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039121
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584207
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
(4-fluorophenyl)methyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036611
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
(4-chlorophenyl)methyl 3-(2-methylpropanoylamino)benzoate
CID 2462278

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate (CID 43039119) is (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate is NC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is WTPAREMJTPDCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c22-17-8-10-18(11-9-17)24-30(27,28)19-3-1-2-16(12-19)21(26)29-13-14-4-6-15(7-5-14)20(23)25/h1-12,24H,13H2,(H2,23,25).
What are the key properties of (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 444.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43039119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).