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

C25H27NO8S — CID 121315122

IUPACN-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
SMILESCOc1cc(/C=C\c2ccc(OC)c(OC)c2NS(=O)(=O)c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO8S/c1-30-20-13-8-17(7-6-16-14-21(31-2)24(33-4)22(15-16)32-3)23(25(20)34-5)26-35(28,29)19-11-9-18(27)10-12-19/h6-15,26-27H,1-5H3/b7-6-
InChIKeyICSSVEJIFJOURP-SREVYHEPSA-N
MW501.56 g/mol
LogP4.41
Rot. Bonds10

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

N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide (PubChem CID 121315122) has the molecular formula C25H27NO8S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
PubChem CID121315122
Molecular FormulaC25H27NO8S
Molecular Weight501.56 g/mol
Exact Mass501.15
IUPAC NameN-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
SMILESCOc1cc(/C=C\c2ccc(OC)c(OC)c2NS(=O)(=O)c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C25H27NO8S/c1-30-20-13-8-17(7-6-16-14-21(31-2)24(33-4)22(15-16)32-3)23(25(20)34-5)26-35(28,29)19-11-9-18(27)10-12-19/h6-15,26-27H,1-5H3/b7-6-
InChIKeyICSSVEJIFJOURP-SREVYHEPSA-N
XLogP4.41
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide (CID 121315122) is N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide is COc1cc(/C=C\c2ccc(OC)c(OC)c2NS(=O)(=O)c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide?
The InChIKey is ICSSVEJIFJOURP-SREVYHEPSA-N. The full InChI is InChI=1S/C25H27NO8S/c1-30-20-13-8-17(7-6-16-14-21(31-2)24(33-4)22(15-16)32-3)23(25(20)34-5)26-35(28,29)19-11-9-18(27)10-12-19/h6-15,26-27H,1-5H3/b7-6-.
What are the key properties of N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide?
N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide has a molecular weight of 501.56 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 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-hydroxybenzenesulfonamide is sourced from PubChem (CID 121315122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).