2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide

C14H16N2O3S — CID 118443923

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide
SMILESCc1ccc(C)n1-c1ccccc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-10-8-9-11(2)16(10)13-7-5-4-6-12(13)14(17)15-20(3,18)19/h4-9H,1-3H3,(H,15,17)
InChIKeyGKILIAULTWXUAM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.78
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide

2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide (PubChem CID 118443923) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide
PubChem CID118443923
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide
SMILESCc1ccc(C)n1-c1ccccc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H16N2O3S/c1-10-8-9-11(2)16(10)13-7-5-4-6-12(13)14(17)15-20(3,18)19/h4-9H,1-3H3,(H,15,17)
InChIKeyGKILIAULTWXUAM-UHFFFAOYSA-N
XLogP1.78
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-[2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylic acid (4-sulfamoyl-phenyl)-amide
CID 59807726
2-methyl-5-[2-(phenylamino)phenyl]-1H-pyrrole-3-carboxamide
CID 86299086
2-(2,5-Dimethylpyrrol-1-yl)benzamide
CID 118443935
2,5-Dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carboxamide
CID 2123826
2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2318095
1-[3-(methanesulfonamido)propyl]-2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89944023
1-[5-(diethylamino)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 4791980
2-[methyl(methylsulfonyl)amino]-N-(2-pyridinylmethyl)benzamide
CID 970060
1-[4-(dimethylamino)phenyl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2307657
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2325885
5-(2-aminophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 86299506
3-(2,5-Dimethylpyrrol-1-yl)-4-(methylsulfonylcarbamoyl)benzoic acid
CID 78320918

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide (CID 118443923) is 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide is Cc1ccc(C)n1-c1ccccc1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide?
The InChIKey is GKILIAULTWXUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-8-9-11(2)16(10)13-7-5-4-6-12(13)14(17)15-20(3,18)19/h4-9H,1-3H3,(H,15,17).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide?
2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide has a molecular weight of 292.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 118443923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).