N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide

C25H27NO6S — CID 145072256

IUPACN-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc(C)c1OC
InChIInChI=1S/C25H27NO6S/c1-16-6-10-20(11-7-16)33(28,29)26-21-13-19(14-22(27)25(21)32-5)9-8-18-12-17(2)24(31-4)23(15-18)30-3/h6-15,26-27H,1-5H3/b9-8-
InChIKeyWADSTBPDOOTVJD-HJWRWDBZSA-N
MW469.56 g/mol
LogP5.01
Rot. Bonds8

About N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide

N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 145072256) has the molecular formula C25H27NO6S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide
PubChem CID145072256
Molecular FormulaC25H27NO6S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC NameN-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(/C=C\c2cc(O)c(OC)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc(C)c1OC
InChIInChI=1S/C25H27NO6S/c1-16-6-10-20(11-7-16)33(28,29)26-21-13-19(14-22(27)25(21)32-5)9-8-18-12-17(2)24(31-4)23(15-18)30-3/h6-15,26-27H,1-5H3/b9-8-
InChIKeyWADSTBPDOOTVJD-HJWRWDBZSA-N
XLogP5.01
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methylbenzenesulfonamide
CID 121315047
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
N-[2-hydroxy-3-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3,4,5-trimethoxybenzenesulfonamide
CID 121315017
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
4-tert-butyl-N-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314883
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
CID 121315122
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide (CID 145072256) is N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide is COc1cc(/C=C\c2cc(O)c(OC)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc(C)c1OC.
What is the InChIKey of N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is WADSTBPDOOTVJD-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H27NO6S/c1-16-6-10-20(11-7-16)33(28,29)26-21-13-19(14-22(27)25(21)32-5)9-8-18-12-17(2)24(31-4)23(15-18)30-3/h6-15,26-27H,1-5H3/b9-8-.
What are the key properties of N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide?
N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 469.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 145072256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).