5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide

C20H19Cl2N3O4S — CID 59807721

IUPAC5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)c(Cl)c2)cn(CCO)c1-c1ccccc1Cl
InChIInChI=1S/C20H19Cl2N3O4S/c1-12-15(11-25(8-9-26)19(12)14-4-2-3-5-16(14)21)20(27)24-13-6-7-18(17(22)10-13)30(23,28)29/h2-7,10-11,26H,8-9H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyOAAHYWOZHZVMBM-UHFFFAOYSA-N
MW468.36 g/mol
LogP3.66
Rot. Bonds6

About 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide

5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide (PubChem CID 59807721) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide
PubChem CID59807721
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)c(Cl)c2)cn(CCO)c1-c1ccccc1Cl
InChIInChI=1S/C20H19Cl2N3O4S/c1-12-15(11-25(8-9-26)19(12)14-4-2-3-5-16(14)21)20(27)24-13-6-7-18(17(22)10-13)30(23,28)29/h2-7,10-11,26H,8-9H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyOAAHYWOZHZVMBM-UHFFFAOYSA-N
XLogP3.66
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[1-(2-hydroxyethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]phenyl]methanesulfinic acid
CID 174775234
2-chloro-4-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 102801412
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
5-[2,3-dimethyl-6-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 135157756
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 63023211
N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide
CID 6492565
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide (CID 59807721) is 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)c(Cl)c2)cn(CCO)c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide?
The InChIKey is OAAHYWOZHZVMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c1-12-15(11-25(8-9-26)19(12)14-4-2-3-5-16(14)21)20(27)24-13-6-7-18(17(22)10-13)30(23,28)29/h2-7,10-11,26H,8-9H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide?
5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3-chloro-4-sulfamoylphenyl)-1-(2-hydroxyethyl)-4-methylpyrrole-3-carboxamide is sourced from PubChem (CID 59807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).