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

C26H29NO8S — CID 121304384

IUPACN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1
InChIInChI=1S/C26H29NO8S/c1-30-19-9-11-20(12-10-19)36(28,29)27-21-13-17(14-22(31-2)25(21)34-5)7-8-18-15-23(32-3)26(35-6)24(16-18)33-4/h7-16,27H,1-6H3/b8-7-
InChIKeySPTMNTPNCDTSAW-FPLPWBNLSA-N
MW515.58 g/mol
LogP4.71
Rot. Bonds11

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

N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (PubChem CID 121304384) has the molecular formula C26H29NO8S and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
PubChem CID121304384
Molecular FormulaC26H29NO8S
Molecular Weight515.58 g/mol
Exact Mass515.16
IUPAC NameN-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1
InChIInChI=1S/C26H29NO8S/c1-30-19-9-11-20(12-10-19)36(28,29)27-21-13-17(14-22(31-2)25(21)34-5)7-8-18-15-23(32-3)26(35-6)24(16-18)33-4/h7-16,27H,1-6H3/b8-7-
InChIKeySPTMNTPNCDTSAW-FPLPWBNLSA-N
XLogP4.71
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121314863
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
N-[5-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-3-hydroxy-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 145072256
4-amino-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 157140642
3-chloro-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314897
4-tert-butyl-N-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314883
4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15293874
N-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-hydroxybenzenesulfonamide
CID 121315122
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide (CID 121304384) is N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1.
What is the InChIKey of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is SPTMNTPNCDTSAW-FPLPWBNLSA-N. The full InChI is InChI=1S/C26H29NO8S/c1-30-19-9-11-20(12-10-19)36(28,29)27-21-13-17(14-22(31-2)25(21)34-5)7-8-18-15-23(32-3)26(35-6)24(16-18)33-4/h7-16,27H,1-6H3/b8-7-.
What are the key properties of N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide?
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 515.58 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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-methoxybenzenesulfonamide is sourced from PubChem (CID 121304384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).