4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide

C15H19N3O3S — CID 110716261

IUPAC4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H19N3O3S/c1-17(2)22(20,21)14-7-5-13(6-8-14)15(19)16-9-12-18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3,(H,16,19)
InChIKeyQIJONIHZEWAHPG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.17
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide

4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 110716261) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID110716261
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H19N3O3S/c1-17(2)22(20,21)14-7-5-13(6-8-14)15(19)16-9-12-18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3,(H,16,19)
InChIKeyQIJONIHZEWAHPG-UHFFFAOYSA-N
XLogP1.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
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4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
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4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
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4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide (CID 110716261) is 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cccc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is QIJONIHZEWAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-17(2)22(20,21)14-7-5-13(6-8-14)15(19)16-9-12-18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3,(H,16,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide?
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 110716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).