3-bromoprop-1-enylsulfonylmethylbenzene

C10H11BrO2S — CID 73028259

IUPAC3-bromoprop-1-enylsulfonylmethylbenzene
SMILESO=S(=O)(C=CCBr)Cc1ccccc1
InChIInChI=1S/C10H11BrO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2
InChIKeyAWJXDAPONPZJCO-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.51
Rot. Bonds4

About 3-bromoprop-1-enylsulfonylmethylbenzene

3-bromoprop-1-enylsulfonylmethylbenzene (PubChem CID 73028259) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-bromoprop-1-enylsulfonylmethylbenzene.

Molecular Properties

Compound Name3-bromoprop-1-enylsulfonylmethylbenzene
PubChem CID73028259
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name3-bromoprop-1-enylsulfonylmethylbenzene
SMILESO=S(=O)(C=CCBr)Cc1ccccc1
InChIInChI=1S/C10H11BrO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2
InChIKeyAWJXDAPONPZJCO-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.51
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

[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
ethenylsulfonylmethyl(113C)cyclohexatriene
CID 67499319
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
[(Z)-but-2-enyl]sulfonylmethylbenzene
CID 13353863
[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
CID 121218492
cerium(3+);phenylmethanesulfonate
CID 141496553
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
CID 68896583
CID 68896583
phenylmethanesulfonic acid;phosphane
CID 173374603
alumane;phenylmethanesulfonic acid
CID 174435213
azane;phenylmethanesulfonamide
CID 67842568

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-enylsulfonylmethylbenzene?
The IUPAC name of 3-bromoprop-1-enylsulfonylmethylbenzene (CID 73028259) is 3-bromoprop-1-enylsulfonylmethylbenzene.
What is the SMILES notation for 3-bromoprop-1-enylsulfonylmethylbenzene?
The canonical SMILES for 3-bromoprop-1-enylsulfonylmethylbenzene is O=S(=O)(C=CCBr)Cc1ccccc1.
What is the InChIKey of 3-bromoprop-1-enylsulfonylmethylbenzene?
The InChIKey is AWJXDAPONPZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-6,8H,7,9H2.
What are the key properties of 3-bromoprop-1-enylsulfonylmethylbenzene?
3-bromoprop-1-enylsulfonylmethylbenzene has a molecular weight of 275.17 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-enylsulfonylmethylbenzene is sourced from PubChem (CID 73028259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).