4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide

C₁₉H₂₀N₂O₃S — CID 140981238

About 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide

4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide (PubChem CID 140981238) has the molecular formula C₁₉H₂₀N₂O₃S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
• PubChem CID: 140981238
• Molecular Formula: C₁₉H₂₀N₂O₃S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.12
• IUPAC Name: 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
• SMILES: CNS(=O)(=O)c1ccc(-n2cc(C)cc2-c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C19H20N2O3S/c1-14-12-19(15-4-8-17(24-3)9-5-15)21(13-14)16-6-10-18(11-7-16)25(22,23)20-2/h4-13,20H,1-3H3
• InChIKey: FBWDPJXHNMYTLP-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?

The IUPAC name of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide (CID 140981238) is 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide.

What is the SMILES notation for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?

The canonical SMILES for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-n2cc(C)cc2-c2ccc(OC)cc2)cc1.

What is the InChIKey of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?

The InChIKey is FBWDPJXHNMYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-12-19(15-4-8-17(24-3)9-5-15)21(13-14)16-6-10-18(11-7-16)25(22,23)20-2/h4-13,20H,1-3H3.

What are the key properties of 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide?

4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 140981238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140981238 — identifiers, structure, computed properties (public domain)

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