N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

C₂₃H₂₅NO₄S — CID 10319439

About N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide

N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 10319439) has the molecular formula C₂₃H₂₅NO₄S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
• PubChem CID: 10319439
• Molecular Formula: C₂₃H₂₅NO₄S
• Molecular Weight: 411.52 g/mol
• Exact Mass: 411.15
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
• SMILES: COc1cc(OC)cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1
• InChI: InChI=1S/C23H25NO4S/c1-16-7-10-22(11-8-16)29(25,26)24(23-12-17(2)6-9-18(23)3)19-13-20(27-4)15-21(14-19)28-5/h6-15H,1-5H3
• InChIKey: HZVRTBTWULAFMM-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.52
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide (CID 10319439) is N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is COc1cc(OC)cc(N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?

The InChIKey is HZVRTBTWULAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-16-7-10-22(11-8-16)29(25,26)24(23-12-17(2)6-9-18(23)3)19-13-20(27-4)15-21(14-19)28-5/h6-15H,1-5H3.

What are the key properties of N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide?

N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10319439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10319439 — identifiers, structure, computed properties (public domain)

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