4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene

C15H11BrClFO2S — CID 73413644

IUPAC4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
SMILESO=S(=O)(C=Cc1ccc(Br)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H11BrClFO2S/c16-13-4-3-12(15(17)9-13)7-8-21(19,20)10-11-1-5-14(18)6-2-11/h1-9H,10H2
InChIKeyZEUGQNBMHMOTOQ-UHFFFAOYSA-N
MW389.67 g/mol
LogP4.83
Rot. Bonds4

About 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene

4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene (PubChem CID 73413644) has the molecular formula C15H11BrClFO2S and a molecular weight of 389.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
PubChem CID73413644
Molecular FormulaC15H11BrClFO2S
Molecular Weight389.67 g/mol
Exact Mass387.93
IUPAC Name4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
SMILESO=S(=O)(C=Cc1ccc(Br)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H11BrClFO2S/c16-13-4-3-12(15(17)9-13)7-8-21(19,20)10-11-1-5-14(18)6-2-11/h1-9H,10H2
InChIKeyZEUGQNBMHMOTOQ-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.67
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene (CID 73413644) is 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene is O=S(=O)(C=Cc1ccc(Br)cc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene?
The InChIKey is ZEUGQNBMHMOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2S/c16-13-4-3-12(15(17)9-13)7-8-21(19,20)10-11-1-5-14(18)6-2-11/h1-9H,10H2.
What are the key properties of 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene?
4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene has a molecular weight of 389.67 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 73413644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).