1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene

C15H11BrClFO2S — CID 173204013

IUPAC1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene
SMILESO=S(=O)(C=Cc1ccc(Br)cc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H11BrClFO2S/c16-13-4-1-11(2-5-13)7-8-21(19,20)10-12-3-6-14(18)9-15(12)17/h1-9H,10H2
InChIKeyLFQKRAYMZGQMIE-UHFFFAOYSA-N
MW389.67 g/mol
LogP4.83
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene

1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene (PubChem CID 173204013) has the molecular formula C15H11BrClFO2S and a molecular weight of 389.67 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene
PubChem CID173204013
Molecular FormulaC15H11BrClFO2S
Molecular Weight389.67 g/mol
Exact Mass387.93
IUPAC Name1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene
SMILESO=S(=O)(C=Cc1ccc(Br)cc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H11BrClFO2S/c16-13-4-1-11(2-5-13)7-8-21(19,20)10-12-3-6-14(18)9-15(12)17/h1-9H,10H2
InChIKeyLFQKRAYMZGQMIE-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 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene?
The IUPAC name of 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene (CID 173204013) is 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene is O=S(=O)(C=Cc1ccc(Br)cc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene?
The InChIKey is LFQKRAYMZGQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2S/c16-13-4-1-11(2-5-13)7-8-21(19,20)10-12-3-6-14(18)9-15(12)17/h1-9H,10H2.
What are the key properties of 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene?
1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene 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 1-[2-(4-bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene is sourced from PubChem (CID 173204013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).