1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene

C8H8BrClO2S — CID 130132900

IUPAC1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1c(Cl)cccc1Br
InChIInChI=1S/C8H8BrClO2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyJGFBMVVGSDTDBM-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.65
Rot. Bonds2

About 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene

1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene (PubChem CID 130132900) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene
PubChem CID130132900
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene
SMILESCS(=O)(=O)Cc1c(Cl)cccc1Br
InChIInChI=1S/C8H8BrClO2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyJGFBMVVGSDTDBM-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
1-Bromo-2-((methylsulfonyl)methyl)benzene
CID 2761418
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
(4-Bromo-2-chlorophenyl)methanesulfonamide
CID 112639838
(2-Bromo-6-chlorophenyl)methanesulfonyl chloride
CID 117488799
o-Chlorobenzyl methyl sulfone
CID 17908531
4-bromo-2-chloro-1-[(E)-2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
CID 17946128
1-[(E)-2-[(4-bromophenyl)methylsulfonyl]ethenyl]-2-chloro-4-fluorobenzene
CID 17946129
4-Bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
CID 73413644
1-[2-[(4-Bromophenyl)methylsulfonyl]ethenyl]-2-chloro-4-fluorobenzene
CID 73413645
4-Bromo-2-chloro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 173203969
1-[2-(4-Bromophenyl)ethenylsulfonylmethyl]-2-chloro-4-fluorobenzene
CID 173204013

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene?
The IUPAC name of 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene (CID 130132900) is 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene is CS(=O)(=O)Cc1c(Cl)cccc1Br.
What is the InChIKey of 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene?
The InChIKey is JGFBMVVGSDTDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3.
What are the key properties of 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene?
1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene has a molecular weight of 283.57 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-(methylsulfonylmethyl)benzene is sourced from PubChem (CID 130132900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).