2-(dibromomethylsulfonyl)ethylbenzene

C9H10Br2O2S — CID 66788581

IUPAC2-(dibromomethylsulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)C(Br)Br
InChIInChI=1S/C9H10Br2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySSCBWWQHDUSZJT-UHFFFAOYSA-N
MW342.05 g/mol
LogP2.72
Rot. Bonds4

About 2-(dibromomethylsulfonyl)ethylbenzene

2-(dibromomethylsulfonyl)ethylbenzene (PubChem CID 66788581) has the molecular formula C9H10Br2O2S and a molecular weight of 342.05 g/mol. Its IUPAC name is 2-(dibromomethylsulfonyl)ethylbenzene.

Molecular Properties

Compound Name2-(dibromomethylsulfonyl)ethylbenzene
PubChem CID66788581
Molecular FormulaC9H10Br2O2S
Molecular Weight342.05 g/mol
Exact Mass339.88
IUPAC Name2-(dibromomethylsulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)C(Br)Br
InChIInChI=1S/C9H10Br2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySSCBWWQHDUSZJT-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.05
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-phenylethylsulfonyl)butanoic acid
CID 105354653
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
hafnium;2-phenylethylbenzene
CID 173109801
iodo 2-phenylethanesulfonate
CID 141112616
2-(trichloromethylsulfonyl)ethylbenzene
CID 90481896
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
benzene;2-phenylethylbenzene
CID 18982764
3-[(1R)-1-chloropropyl]sulfonylpropylbenzene
CID 94036807
3-(3-phenylpropylsulfonyl)butan-2-ol
CID 122142904
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethylsulfonyl)ethylbenzene?
The IUPAC name of 2-(dibromomethylsulfonyl)ethylbenzene (CID 66788581) is 2-(dibromomethylsulfonyl)ethylbenzene.
What is the SMILES notation for 2-(dibromomethylsulfonyl)ethylbenzene?
The canonical SMILES for 2-(dibromomethylsulfonyl)ethylbenzene is O=S(=O)(CCc1ccccc1)C(Br)Br.
What is the InChIKey of 2-(dibromomethylsulfonyl)ethylbenzene?
The InChIKey is SSCBWWQHDUSZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(dibromomethylsulfonyl)ethylbenzene?
2-(dibromomethylsulfonyl)ethylbenzene has a molecular weight of 342.05 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethylsulfonyl)ethylbenzene is sourced from PubChem (CID 66788581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).