chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate

C20H17Cl2NO4S — CID 91872837

IUPACchlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate
SMILESCCc1c(C(=O)OS(=O)(=O)Cl)c(C)n(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2NO4S/c1-3-17-18(20(24)27-28(22,25)26)13(2)23(16-7-5-4-6-8-16)19(17)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3
InChIKeyNMNWOZOWNXWPIW-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.31
Rot. Bonds5

About chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate

chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate (PubChem CID 91872837) has the molecular formula C20H17Cl2NO4S and a molecular weight of 438.33 g/mol. Its IUPAC name is chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Namechlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate
PubChem CID91872837
Molecular FormulaC20H17Cl2NO4S
Molecular Weight438.33 g/mol
Exact Mass437.03
IUPAC Namechlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate
SMILESCCc1c(C(=O)OS(=O)(=O)Cl)c(C)n(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2NO4S/c1-3-17-18(20(24)27-28(22,25)26)13(2)23(16-7-5-4-6-8-16)19(17)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3
InChIKeyNMNWOZOWNXWPIW-UHFFFAOYSA-N
XLogP5.31
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-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 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 2742836
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-ethyl-2-methylpyrrole-3-carboxylic acid
CID 173206138
ethyl 5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894437
ethyl 4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]benzoate
CID 90839503
ethyl 4-(4-acetamidophenyl)-5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894342
dimethyl 2-(4-chlorophenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 3850963
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
3-[4-acetyl-2-(4-chlorophenyl)-5-methyl-1-(4-methylphenyl)pyrrol-3-yl]-4-hydroxypent-3-en-2-one
CID 138961600
ethyl 4-[[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]sulfamoyl]-2-(4-chlorophenyl)-5-methyl-1-phenylpyrrole-3-carboxylate
CID 10168145
ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
CID 136880016

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate?
The IUPAC name of chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate (CID 91872837) is chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate is CCc1c(C(=O)OS(=O)(=O)Cl)c(C)n(-c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate?
The InChIKey is NMNWOZOWNXWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S/c1-3-17-18(20(24)27-28(22,25)26)13(2)23(16-7-5-4-6-8-16)19(17)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3.
What are the key properties of chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate?
chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate has a molecular weight of 438.33 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl 5-(4-chlorophenyl)-4-ethyl-2-methyl-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 91872837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).