5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene

C24H23ClO5S — CID 158675985

IUPAC5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccccc2CS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23ClO5S/c1-28-22-14-17(15-23(29-2)24(22)30-3)8-9-18-6-4-5-7-19(18)16-31(26,27)21-12-10-20(25)11-13-21/h4-15H,16H2,1-3H3/b9-8-
InChIKeyKHLUITBLAZANFA-HJWRWDBZSA-N
MW458.96 g/mol
LogP5.51
Rot. Bonds8

About 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene

5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 158675985) has the molecular formula C24H23ClO5S and a molecular weight of 458.96 g/mol. Its IUPAC name is 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
PubChem CID158675985
Molecular FormulaC24H23ClO5S
Molecular Weight458.96 g/mol
Exact Mass458.10
IUPAC Name5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccccc2CS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23ClO5S/c1-28-22-14-17(15-23(29-2)24(22)30-3)8-9-18-6-4-5-7-19(18)16-31(26,27)21-12-10-20(25)11-13-21/h4-15H,16H2,1-3H3/b9-8-
InChIKeyKHLUITBLAZANFA-HJWRWDBZSA-N
XLogP5.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.96
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]aniline
CID 162078157
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 162078160
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
5-[(Z)-2-[2-[(3-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dichlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-fluorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 159894333
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
CID 10882589
2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 162018872
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1,2-dimethoxy-3-[(4-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 158056126

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene (CID 158675985) is 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene is COc1cc(/C=C\c2ccccc2CS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is KHLUITBLAZANFA-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H23ClO5S/c1-28-22-14-17(15-23(29-2)24(22)30-3)8-9-18-6-4-5-7-19(18)16-31(26,27)21-12-10-20(25)11-13-21/h4-15H,16H2,1-3H3/b9-8-.
What are the key properties of 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 458.96 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 158675985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).