1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene

C15H12BrClO2S — CID 154712334

IUPAC1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(\Br)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12BrClO2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(16)12-4-6-13(17)7-5-12/h2-10H,1H3/b15-10-
InChIKeyBWMWWHVAILPYPS-GDNBJRDFSA-N
MW371.68 g/mol
LogP4.82
Rot. Bonds3

About 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene

1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (PubChem CID 154712334) has the molecular formula C15H12BrClO2S and a molecular weight of 371.68 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
PubChem CID154712334
Molecular FormulaC15H12BrClO2S
Molecular Weight371.68 g/mol
Exact Mass369.94
IUPAC Name1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(\Br)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12BrClO2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(16)12-4-6-13(17)7-5-12/h2-10H,1H3/b15-10-
InChIKeyBWMWWHVAILPYPS-GDNBJRDFSA-N
XLogP4.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene (CID 154712334) is 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C(\Br)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
The InChIKey is BWMWWHVAILPYPS-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H12BrClO2S/c1-11-2-8-14(9-3-11)20(18,19)10-15(16)12-4-6-13(17)7-5-12/h2-10H,1H3/b15-10-.
What are the key properties of 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene?
1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene has a molecular weight of 371.68 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 154712334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).