ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate

C26H23ClN2O4S — CID 2742836

IUPACethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n(-c2ccccc2)c1C
InChIInChI=1S/C26H23ClN2O4S/c1-3-33-26(30)23-18(2)29(22-12-8-5-9-13-22)24(19-10-6-4-7-11-19)25(23)34(31,32)28-21-16-14-20(27)15-17-21/h4-17,28H,3H2,1-2H3
InChIKeyONMXDOFZXBVWQB-UHFFFAOYSA-N
MW495.00 g/mol
LogP6.08
Rot. Bonds7

About ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate

ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate (PubChem CID 2742836) has the molecular formula C26H23ClN2O4S and a molecular weight of 495.00 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
PubChem CID2742836
Molecular FormulaC26H23ClN2O4S
Molecular Weight495.00 g/mol
Exact Mass494.11
IUPAC Nameethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n(-c2ccccc2)c1C
InChIInChI=1S/C26H23ClN2O4S/c1-3-33-26(30)23-18(2)29(22-12-8-5-9-13-22)24(19-10-6-4-7-11-19)25(23)34(31,32)28-21-16-14-20(27)15-17-21/h4-17,28H,3H2,1-2H3
InChIKeyONMXDOFZXBVWQB-UHFFFAOYSA-N
XLogP6.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]sulfamoyl]-2-(4-chlorophenyl)-5-methyl-1-phenylpyrrole-3-carboxylate
CID 10168145
chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate
CID 91872837
ethyl 4-(4-acetamidophenyl)-5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894342
ethyl 5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894437
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 5-(4-chlorophenyl)-2-methyl-4-[(3-methylphenyl)sulfamoyl]furan-3-carboxylate
CID 2742852
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
4-[(2-carboxy-5-phenylthiophen-3-yl)sulfamoyl]-5-(4-chlorophenyl)-3-methyl-1-phenylpyrrole-2-carboxylic acid
CID 67298892
ethyl 1-(dimethylsulfamoyl)-5-(dimethylsulfamoylamino)-2-phenylindole-3-carboxylate
CID 4856186
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate (CID 2742836) is ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n(-c2ccccc2)c1C.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
The InChIKey is ONMXDOFZXBVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S/c1-3-33-26(30)23-18(2)29(22-12-8-5-9-13-22)24(19-10-6-4-7-11-19)25(23)34(31,32)28-21-16-14-20(27)15-17-21/h4-17,28H,3H2,1-2H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate?
ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate has a molecular weight of 495.00 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate is sourced from PubChem (CID 2742836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).