(2,2-dibromocyclopropyl)methylsulfonylbenzene

C10H10Br2O2S — CID 611296

IUPAC(2,2-dibromocyclopropyl)methylsulfonylbenzene
SMILESO=S(=O)(CC1CC1(Br)Br)c1ccccc1
InChIInChI=1S/C10H10Br2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyRLAGGYVQBPBNDZ-UHFFFAOYSA-N
MW354.06 g/mol
LogP2.97
Rot. Bonds3

About (2,2-dibromocyclopropyl)methylsulfonylbenzene

(2,2-dibromocyclopropyl)methylsulfonylbenzene (PubChem CID 611296) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is (2,2-dibromocyclopropyl)methylsulfonylbenzene.

Molecular Properties

Compound Name(2,2-dibromocyclopropyl)methylsulfonylbenzene
PubChem CID611296
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name(2,2-dibromocyclopropyl)methylsulfonylbenzene
SMILESO=S(=O)(CC1CC1(Br)Br)c1ccccc1
InChIInChI=1S/C10H10Br2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyRLAGGYVQBPBNDZ-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 52.97
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

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CID 175956419
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CID 15921047
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CID 11021627
(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
1-[[(1R)-2,2-dichlorocyclopropyl]methylsulfonyl]-4-methylbenzene
CID 748157
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CID 165097297
4,5-bis(benzenesulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 89314014
(1S,2S,3S,4R)-2-(benzenesulfonylmethyl)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
CID 24740866
3-(benzenesulfonylmethyl)-7-methylidene-1,5-dithiocane
CID 58059258
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
trans-(2S,5S)-5-(benzenesulfonylmethyl)-2-methylcyclohexan-1-one
CID 101223012

Frequently Asked Questions

What is the IUPAC name of (2,2-dibromocyclopropyl)methylsulfonylbenzene?
The IUPAC name of (2,2-dibromocyclopropyl)methylsulfonylbenzene (CID 611296) is (2,2-dibromocyclopropyl)methylsulfonylbenzene.
What is the SMILES notation for (2,2-dibromocyclopropyl)methylsulfonylbenzene?
The canonical SMILES for (2,2-dibromocyclopropyl)methylsulfonylbenzene is O=S(=O)(CC1CC1(Br)Br)c1ccccc1.
What is the InChIKey of (2,2-dibromocyclopropyl)methylsulfonylbenzene?
The InChIKey is RLAGGYVQBPBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c11-10(12)6-8(10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (2,2-dibromocyclopropyl)methylsulfonylbenzene?
(2,2-dibromocyclopropyl)methylsulfonylbenzene has a molecular weight of 354.06 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dibromocyclopropyl)methylsulfonylbenzene is sourced from PubChem (CID 611296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).