2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene

C17H17ClO5S — CID 44593060

IUPAC2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(/C=C(\Cl)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H17ClO5S/c1-21-12-9-15(22-2)14(16(10-12)23-3)11-17(18)24(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-11+
InChIKeyLMYWHIXWGFUGRK-GZTJUZNOSA-N
MW368.84 g/mol
LogP3.72
Rot. Bonds6

About 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene

2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene (PubChem CID 44593060) has the molecular formula C17H17ClO5S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene
PubChem CID44593060
Molecular FormulaC17H17ClO5S
Molecular Weight368.84 g/mol
Exact Mass368.05
IUPAC Name2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(/C=C(\Cl)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H17ClO5S/c1-21-12-9-15(22-2)14(16(10-12)23-3)11-17(18)24(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-11+
InChIKeyLMYWHIXWGFUGRK-GZTJUZNOSA-N
XLogP3.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene (CID 44593060) is 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene is COc1cc(OC)c(/C=C(\Cl)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene?
The InChIKey is LMYWHIXWGFUGRK-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H17ClO5S/c1-21-12-9-15(22-2)14(16(10-12)23-3)11-17(18)24(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-11+.
What are the key properties of 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene?
2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene has a molecular weight of 368.84 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 44593060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).