1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene

C15H13ClO3S — CID 73053707

IUPAC1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C15H13ClO3S/c1-19-14-8-4-5-9-15(14)20(17,18)11-10-12-6-2-3-7-13(12)16/h2-11H,1H3/b11-10+
InChIKeyKVDYSDOWSIXKPB-ZHACJKMWSA-N
MW308.79 g/mol
LogP3.79
Rot. Bonds4

About 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene

1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene (PubChem CID 73053707) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
PubChem CID73053707
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
SMILESCOc1ccccc1S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C15H13ClO3S/c1-19-14-8-4-5-9-15(14)20(17,18)11-10-12-6-2-3-7-13(12)16/h2-11H,1H3/b11-10+
InChIKeyKVDYSDOWSIXKPB-ZHACJKMWSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
CID 14566332
(4-methoxyphenyl) (E)-2-(2-chlorophenyl)ethenesulfonate
CID 155533319
(2-methoxyphenyl) (E)-2-(2-chlorophenyl)ethenesulfonate
CID 155566478
1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
CID 22065292
2-chloro-4-fluoro-1-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 24755398
1-chloro-4-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72188760
1-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfonylbenzene
CID 72189061
1-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
CID 72189062
1-[(E)-2-(3-fluorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 72189063
1-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72193354
Benzene, 1-methoxy-3-[(phenylsulfonyl)methyl]-
CID 9548463
1-(Benzylsulfonyl)-4-methoxybenzene
CID 13704906

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene (CID 73053707) is 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene is COc1ccccc1S(=O)(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene?
The InChIKey is KVDYSDOWSIXKPB-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-19-14-8-4-5-9-15(14)20(17,18)11-10-12-6-2-3-7-13(12)16/h2-11H,1H3/b11-10+.
What are the key properties of 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene?
1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene has a molecular weight of 308.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 73053707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).