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

C13H9BrClFO2S — CID 47217932

IUPAC1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene
SMILESO=S(=O)(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClFO2S/c14-10-2-5-12(6-3-10)19(17,18)8-9-1-4-11(16)7-13(9)15/h1-7H,8H2
InChIKeyJOMQADYNXOVRJP-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.22
Rot. Bonds3

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

1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene (PubChem CID 47217932) has the molecular formula C13H9BrClFO2S and a molecular weight of 363.64 g/mol. Its IUPAC name is 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene
PubChem CID47217932
Molecular FormulaC13H9BrClFO2S
Molecular Weight363.64 g/mol
Exact Mass361.92
IUPAC Name1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene
SMILESO=S(=O)(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClFO2S/c14-10-2-5-12(6-3-10)19(17,18)8-9-1-4-11(16)7-13(9)15/h1-7H,8H2
InChIKeyJOMQADYNXOVRJP-UHFFFAOYSA-N
XLogP4.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene?
The IUPAC name of 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene (CID 47217932) is 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene is O=S(=O)(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene?
The InChIKey is JOMQADYNXOVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO2S/c14-10-2-5-12(6-3-10)19(17,18)8-9-1-4-11(16)7-13(9)15/h1-7H,8H2.
What are the key properties of 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene?
1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene has a molecular weight of 363.64 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)sulfonylmethyl]-2-chloro-4-fluorobenzene is sourced from PubChem (CID 47217932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).