methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate

C19H18N4O6S — CID 38869114

IUPACmethyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(C(=O)OC)nn2)cc1
InChIInChI=1S/C19H18N4O6S/c1-3-29-18(24)13-8-10-14(11-9-13)30(26,27)21-15-6-4-5-7-17(15)23-12-16(20-22-23)19(25)28-2/h4-12,21H,3H2,1-2H3
InChIKeyLKUIPBKFMNHPKJ-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.03
Rot. Bonds7

About methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate

methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate (PubChem CID 38869114) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate
PubChem CID38869114
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Namemethyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(C(=O)OC)nn2)cc1
InChIInChI=1S/C19H18N4O6S/c1-3-29-18(24)13-8-10-14(11-9-13)30(26,27)21-15-6-4-5-7-17(15)23-12-16(20-22-23)19(25)28-2/h4-12,21H,3H2,1-2H3
InChIKeyLKUIPBKFMNHPKJ-UHFFFAOYSA-N
XLogP2.03
TPSA129.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-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

ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
ethyl 1-(8-acetamidonaphthalen-1-yl)triazole-4-carboxylate
CID 101073511
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 1-(2-fluoro-3-methylphenyl)triazole-4-carboxylate
CID 165488851
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 9342016
methyl 1-(2,5-diethoxyphenyl)triazole-4-carboxylate
CID 122241390
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate (CID 38869114) is methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(C(=O)OC)nn2)cc1.
What is the InChIKey of methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate?
The InChIKey is LKUIPBKFMNHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-3-29-18(24)13-8-10-14(11-9-13)30(26,27)21-15-6-4-5-7-17(15)23-12-16(20-22-23)19(25)28-2/h4-12,21H,3H2,1-2H3.
What are the key properties of methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate?
methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate has a molecular weight of 430.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]triazole-4-carboxylate is sourced from PubChem (CID 38869114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).