1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene

C15H11BrCl2O2S — CID 138971276

IUPAC1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(/Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrCl2O2S/c1-10-2-4-11(5-3-10)14(17)15(18)21(19,20)13-8-6-12(16)7-9-13/h2-9H,1H3/b15-14+
InChIKeyOKVJIXMADQCBQA-CCEZHUSRSA-N
MW406.13 g/mol
LogP5.34
Rot. Bonds3

About 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene

1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene (PubChem CID 138971276) has the molecular formula C15H11BrCl2O2S and a molecular weight of 406.13 g/mol. Its IUPAC name is 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene
PubChem CID138971276
Molecular FormulaC15H11BrCl2O2S
Molecular Weight406.13 g/mol
Exact Mass403.90
IUPAC Name1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(/Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrCl2O2S/c1-10-2-4-11(5-3-10)14(17)15(18)21(19,20)13-8-6-12(16)7-9-13/h2-9H,1H3/b15-14+
InChIKeyOKVJIXMADQCBQA-CCEZHUSRSA-N
XLogP5.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
1-[(1E)-1-chloro-2-(4-methylphenyl)sulfonylpenta-1,4-dienyl]-4-methylbenzene
CID 132603640
(E)-1-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 52947074
1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
[(E)-3-(4-bromophenyl)-3-chloro-2-(4-methylphenyl)sulfanylprop-2-enyl] acetate
CID 138969948
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
(4-bromobenzoyl) 4-methylbenzenecarboperoxoate
CID 163445430
bromobenzene;4-methylbenzoic acid
CID 175243849
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene (CID 138971276) is 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene is Cc1ccc(/C(Cl)=C(/Cl)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene?
The InChIKey is OKVJIXMADQCBQA-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H11BrCl2O2S/c1-10-2-4-11(5-3-10)14(17)15(18)21(19,20)13-8-6-12(16)7-9-13/h2-9H,1H3/b15-14+.
What are the key properties of 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene?
1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene has a molecular weight of 406.13 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(4-bromophenyl)sulfonyl-1,2-dichloroethenyl]-4-methylbenzene is sourced from PubChem (CID 138971276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).