5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

C18H14ClN2O4S- — CID 24894219

IUPAC5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCc1c(C(=O)[O-])cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25)/p-1
InChIKeyMLVCEWBLMXMCLO-UHFFFAOYSA-M
MW389.84 g/mol
LogP2.12
Rot. Bonds4

About 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (PubChem CID 24894219) has the molecular formula C18H14ClN2O4S- and a molecular weight of 389.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
PubChem CID24894219
Molecular FormulaC18H14ClN2O4S-
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCc1c(C(=O)[O-])cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25)/p-1
InChIKeyMLVCEWBLMXMCLO-UHFFFAOYSA-M
XLogP2.12
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
CID 24894444
3-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162645668
ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
ethyl 2-methyl-5-(4-pentylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24895709
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600498
1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
CID 42785626
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (CID 24894219) is 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is Cc1c(C(=O)[O-])cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The InChIKey is MLVCEWBLMXMCLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25)/p-1.
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate has a molecular weight of 389.84 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 24894219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).