4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide

C21H21Cl2N3O4S — CID 55600473

IUPAC4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c(Cl)n2C)c1
InChIInChI=1S/C21H21Cl2N3O4S/c1-4-26(14-8-6-5-7-9-14)31(28,29)15-10-11-19(30-3)17(12-15)24-21(27)18-13-16(22)20(23)25(18)2/h5-13H,4H2,1-3H3,(H,24,27)
InChIKeyHMEDWEWHIHWKEF-UHFFFAOYSA-N
MW482.39 g/mol
LogP4.81
Rot. Bonds7

About 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55600473) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55600473
Molecular FormulaC21H21Cl2N3O4S
Molecular Weight482.39 g/mol
Exact Mass481.06
IUPAC Name4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c(Cl)n2C)c1
InChIInChI=1S/C21H21Cl2N3O4S/c1-4-26(14-8-6-5-7-9-14)31(28,29)15-10-11-19(30-3)17(12-15)24-21(27)18-13-16(22)20(23)25(18)2/h5-13H,4H2,1-3H3,(H,24,27)
InChIKeyHMEDWEWHIHWKEF-UHFFFAOYSA-N
XLogP4.81
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
6-chloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605008
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30747930

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide (CID 55600473) is 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c(Cl)n2C)c1.
What is the InChIKey of 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is HMEDWEWHIHWKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c1-4-26(14-8-6-5-7-9-14)31(28,29)15-10-11-19(30-3)17(12-15)24-21(27)18-13-16(22)20(23)25(18)2/h5-13H,4H2,1-3H3,(H,24,27).
What are the key properties of 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 482.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55600473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).