[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene

C10H11BrO2S — CID 11637643

IUPAC[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene
SMILESC/C(=C\Br)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7+
InChIKeyMNSHRPACZDJYTI-VQHVLOKHSA-N
MW275.17 g/mol
LogP2.76
Rot. Bonds3

About [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene

[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene (PubChem CID 11637643) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene
PubChem CID11637643
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene
SMILESC/C(=C\Br)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7+
InChIKeyMNSHRPACZDJYTI-VQHVLOKHSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylbut-2-enyl)sulfonylbenzene
CID 100962312
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CID 171422851
[(E)-5-chloro-6-methoxy-2-methylhex-2-enyl]sulfonylbenzene
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1-(benzenesulfonyl)but-3-en-2-one
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CID 54270848
1-[4-(benzenesulfonyl)-3-methylbut-2-enyl]-2,3,4,5-tetramethoxy-6-methylbenzene
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1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene?
The IUPAC name of [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene (CID 11637643) is [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene is C/C(=C\Br)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene?
The InChIKey is MNSHRPACZDJYTI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7+.
What are the key properties of [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene?
[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene has a molecular weight of 275.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene is sourced from PubChem (CID 11637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).