N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide

C26H29NO8S — CID 121314863

About N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide

N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 121314863) has the molecular formula C26H29NO8S and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
• PubChem CID: 121314863
• Molecular Formula: C26H29NO8S
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.16
• IUPAC Name: N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)Nc2c(/C=C\c3cc(OC)c(OC)c(OC)c3)ccc(OC)c2OC)cc1
• InChI: InChI=1S/C26H29NO8S/c1-30-19-10-12-20(13-11-19)36(28,29)27-24-18(9-14-21(31-2)26(24)35-6)8-7-17-15-22(32-3)25(34-5)23(16-17)33-4/h7-16,27H,1-6H3/b8-7-
• InChIKey: VPFXZNAFYCNNQB-FPLPWBNLSA-N
• XLogP: 4.71
• TPSA: 101.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?

The IUPAC name of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (CID 121314863) is N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.

What is the SMILES notation for N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?

The canonical SMILES for N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(/C=C\c3cc(OC)c(OC)c(OC)c3)ccc(OC)c2OC)cc1.

What is the InChIKey of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?

The InChIKey is VPFXZNAFYCNNQB-FPLPWBNLSA-N. The full InChI is InChI=1S/C26H29NO8S/c1-30-19-10-12-20(13-11-19)36(28,29)27-24-18(9-14-21(31-2)26(24)35-6)8-7-17-15-22(32-3)25(34-5)23(16-17)33-4/h7-16,27H,1-6H3/b8-7-.

What are the key properties of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?

N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 515.58 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 121314863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).