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

C26H29NO7S — CID 121315047

IUPACN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C26H29NO7S/c1-17-7-11-20(12-8-17)35(28,29)27-21-13-18(14-22(30-2)25(21)33-5)9-10-19-15-23(31-3)26(34-6)24(16-19)32-4/h7-16,27H,1-6H3/b10-9-
InChIKeyJQUNBRXPSPMLRY-KTKRTIGZSA-N
MW499.59 g/mol
LogP5.01
Rot. Bonds10

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

N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 121315047) has the molecular formula C26H29NO7S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID121315047
Molecular FormulaC26H29NO7S
Molecular Weight499.59 g/mol
Exact Mass499.17
IUPAC NameN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C26H29NO7S/c1-17-7-11-20(12-8-17)35(28,29)27-21-13-18(14-22(30-2)25(21)33-5)9-10-19-15-23(31-3)26(34-6)24(16-19)32-4/h7-16,27H,1-6H3/b10-9-
InChIKeyJQUNBRXPSPMLRY-KTKRTIGZSA-N
XLogP5.01
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 145072256
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
N-[2-hydroxy-3-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3,4,5-trimethoxybenzenesulfonamide
CID 121315017
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314897
N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121314863
4-tert-butyl-N-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314883
N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
CID 121315122
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (CID 121315047) is N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c2ccc(C)cc2)c1OC.
What is the InChIKey of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is JQUNBRXPSPMLRY-KTKRTIGZSA-N. The full InChI is InChI=1S/C26H29NO7S/c1-17-7-11-20(12-8-17)35(28,29)27-21-13-18(14-22(30-2)25(21)33-5)9-10-19-15-23(31-3)26(34-6)24(16-19)32-4/h7-16,27H,1-6H3/b10-9-.
What are the key properties of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 499.59 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 121315047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).