1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene

C15H13ClO3S — CID 14566332

IUPAC1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-19-13-9-7-12(8-10-13)11-15(16)20(17,18)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKeyUHXLVPZRJMPNRR-RVDMUPIBSA-N
MW308.79 g/mol
LogP3.71
Rot. Bonds4

About 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene

1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene (PubChem CID 14566332) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
PubChem CID14566332
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-19-13-9-7-12(8-10-13)11-15(16)20(17,18)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKeyUHXLVPZRJMPNRR-RVDMUPIBSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene (CID 14566332) is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene is COc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene?
The InChIKey is UHXLVPZRJMPNRR-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-19-13-9-7-12(8-10-13)11-15(16)20(17,18)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+.
What are the key properties of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene?
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene has a molecular weight of 308.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene is sourced from PubChem (CID 14566332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).