1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene

C10H12Br2O2S — CID 64995737

IUPAC1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene
SMILESCC(CBr)CS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H12Br2O2S/c1-8(6-11)7-15(13,14)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3
InChIKeyDNQTWKLYRZMUAH-UHFFFAOYSA-N
MW356.08 g/mol
LogP3.25
Rot. Bonds4

About 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene

1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene (PubChem CID 64995737) has the molecular formula C10H12Br2O2S and a molecular weight of 356.08 g/mol. Its IUPAC name is 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene.

Molecular Properties

Compound Name1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene
PubChem CID64995737
Molecular FormulaC10H12Br2O2S
Molecular Weight356.08 g/mol
Exact Mass353.89
IUPAC Name1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene
SMILESCC(CBr)CS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H12Br2O2S/c1-8(6-11)7-15(13,14)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3
InChIKeyDNQTWKLYRZMUAH-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 53.25
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

1-bromo-2-[2-(bromomethyl)pentylsulfonyl]benzene
CID 65014192
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CID 64646640
1-(2-bromophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 113317935
1-bromo-2-propylsulfonylbenzene
CID 54596100
1-bromo-2-(chloromethylsulfonyl)benzene
CID 13279454
2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
CID 64995930
1-(3-bromo-2-methylpropyl)sulfonyl-4-methylsulfonylbenzene
CID 64996178
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
4-(2-bromophenyl)sulfonylbutan-2-one
CID 64641636
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene?
The IUPAC name of 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene (CID 64995737) is 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene.
What is the SMILES notation for 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene?
The canonical SMILES for 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene is CC(CBr)CS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene?
The InChIKey is DNQTWKLYRZMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2S/c1-8(6-11)7-15(13,14)10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene?
1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene has a molecular weight of 356.08 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromo-2-methylpropyl)sulfonylbenzene is sourced from PubChem (CID 64995737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).