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

C25H26ClNO7S — CID 121314860

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

3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (PubChem CID 121314860) has the molecular formula C25H26ClNO7S and a molecular weight of 520.00 g/mol. Its IUPAC name is 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
• PubChem CID: 121314860
• Molecular Formula: C25H26ClNO7S
• Molecular Weight: 520.00 g/mol
• Exact Mass: 519.11
• IUPAC Name: 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
• SMILES: COc1cc(/C=C\c2ccc(OC)c(OC)c2NS(=O)(=O)c2cccc(Cl)c2)cc(OC)c1OC
• InChI: InChI=1S/C25H26ClNO7S/c1-30-20-12-11-17(10-9-16-13-21(31-2)24(33-4)22(14-16)32-3)23(25(20)34-5)27-35(28,29)19-8-6-7-18(26)15-19/h6-15,27H,1-5H3/b10-9-
• InChIKey: PTNHCOGZOFQDEU-KTKRTIGZSA-N
• XLogP: 5.35
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.00
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
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 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?

The IUPAC name of 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (CID 121314860) is 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.

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

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

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

The InChIKey is PTNHCOGZOFQDEU-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H26ClNO7S/c1-30-20-12-11-17(10-9-16-13-21(31-2)24(33-4)22(14-16)32-3)23(25(20)34-5)27-35(28,29)19-8-6-7-18(26)15-19/h6-15,27H,1-5H3/b10-9-.

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

3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide has a molecular weight of 520.00 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 121314860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).