ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C17H21ClN2O4S — CID 53059355

IUPACethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c(C)n1C
InChIInChI=1S/C17H21ClN2O4S/c1-6-24-17(21)15-11(3)16(12(4)20(15)5)25(22,23)19-14-8-7-10(2)9-13(14)18/h7-9,19H,6H2,1-5H3
InChIKeyBZZIJKUZRSDXHQ-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.58
Rot. Bonds5

About ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate

ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 53059355) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID53059355
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Nameethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c(C)n1C
InChIInChI=1S/C17H21ClN2O4S/c1-6-24-17(21)15-11(3)16(12(4)20(15)5)25(22,23)19-14-8-7-10(2)9-13(14)18/h7-9,19H,6H2,1-5H3
InChIKeyBZZIJKUZRSDXHQ-UHFFFAOYSA-N
XLogP3.58
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53059358
ethyl 4-[(2-methoxyphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059394
ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059365
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846
ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 7117186
ethyl 4-(cycloheptylsulfamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059325
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
diethyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 6619290
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 53059355) is ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c(C)n1C.
What is the InChIKey of ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is BZZIJKUZRSDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-6-24-17(21)15-11(3)16(12(4)20(15)5)25(22,23)19-14-8-7-10(2)9-13(14)18/h7-9,19H,6H2,1-5H3.
What are the key properties of ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 384.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 53059355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).