N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C25H24F3NO7S — CID 121314999

About N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 121314999) has the molecular formula C25H24F3NO7S and a molecular weight of 539.53 g/mol. Its IUPAC name is N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 121314999
• Molecular Formula: C25H24F3NO7S
• Molecular Weight: 539.53 g/mol
• Exact Mass: 539.12
• IUPAC Name: N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COc1cc(/C=C\c2ccc(O)c(OC)c2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC
• InChI: InChI=1S/C25H24F3NO7S/c1-33-20-12-15(13-21(34-2)24(20)36-4)8-9-16-10-11-19(30)23(35-3)22(16)29-37(31,32)18-7-5-6-17(14-18)25(26,27)28/h5-14,29-30H,1-4H3/b9-8-
• InChIKey: ILELCYHDRMETRY-HJWRWDBZSA-N
• XLogP: 5.42
• TPSA: 103.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.53
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 121314999) is N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is COc1cc(/C=C\c2ccc(O)c(OC)c2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC.

What is the InChIKey of N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is ILELCYHDRMETRY-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H24F3NO7S/c1-33-20-12-15(13-21(34-2)24(20)36-4)8-9-16-10-11-19(30)23(35-3)22(16)29-37(31,32)18-7-5-6-17(14-18)25(26,27)28/h5-14,29-30H,1-4H3/b9-8-.

What are the key properties of N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?

N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 539.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 121314999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).