1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C18H17N3O3S — CID 146501073

IUPAC1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(13-21)18(22)20-12-16-4-2-3-10-19-16/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyIDYQPEYKKOAQLC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.36
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 146501073) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID146501073
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C18H17N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(13-21)18(22)20-12-16-4-2-3-10-19-16/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyIDYQPEYKKOAQLC-UHFFFAOYSA-N
XLogP2.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 17309406
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 18680806
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060863
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 146501073) is 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is IDYQPEYKKOAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(13-21)18(22)20-12-16-4-2-3-10-19-16/h2-11,13H,12H2,1H3,(H,20,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 146501073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).