4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide

C16H19Cl2N3O3S — CID 55600497

IUPAC4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1
InChIInChI=1S/C16H19Cl2N3O3S/c1-4-21(5-2)25(23,24)12-8-6-11(7-9-12)19-16(22)14-10-13(17)15(18)20(14)3/h6-10H,4-5H2,1-3H3,(H,19,22)
InChIKeyJSNCLOIFSARMPV-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.61
Rot. Bonds6

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

4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55600497) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55600497
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC Name4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1
InChIInChI=1S/C16H19Cl2N3O3S/c1-4-21(5-2)25(23,24)12-8-6-11(7-9-12)19-16(22)14-10-13(17)15(18)20(14)3/h6-10H,4-5H2,1-3H3,(H,19,22)
InChIKeyJSNCLOIFSARMPV-UHFFFAOYSA-N
XLogP3.61
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 55600497) is 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1.
What is the InChIKey of 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JSNCLOIFSARMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-4-21(5-2)25(23,24)12-8-6-11(7-9-12)19-16(22)14-10-13(17)15(18)20(14)3/h6-10H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 404.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55600497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).