1-(2-bromoethylsulfonyl)-4-chlorobenzene

C8H8BrClO2S — CID 18526465

IUPAC1-(2-bromoethylsulfonyl)-4-chlorobenzene
SMILESO=S(=O)(CCBr)c1ccc(Cl)cc1
InChIInChI=1S/C8H8BrClO2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKeyLINNKLCBMSLYTQ-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-bromoethylsulfonyl)-4-chlorobenzene

1-(2-bromoethylsulfonyl)-4-chlorobenzene (PubChem CID 18526465) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is 1-(2-bromoethylsulfonyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromoethylsulfonyl)-4-chlorobenzene
PubChem CID18526465
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name1-(2-bromoethylsulfonyl)-4-chlorobenzene
SMILESO=S(=O)(CCBr)c1ccc(Cl)cc1
InChIInChI=1S/C8H8BrClO2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKeyLINNKLCBMSLYTQ-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
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

1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
2-bromoethyl 4-chlorobenzenesulfonate
CID 23272216
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
CID 103603103
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
1-[2-(4-chlorophenyl)sulfanylethylsulfonyl]-4-methylbenzene
CID 2818837
(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
CID 7004618

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethylsulfonyl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromoethylsulfonyl)-4-chlorobenzene (CID 18526465) is 1-(2-bromoethylsulfonyl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromoethylsulfonyl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromoethylsulfonyl)-4-chlorobenzene is O=S(=O)(CCBr)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-bromoethylsulfonyl)-4-chlorobenzene?
The InChIKey is LINNKLCBMSLYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2.
What are the key properties of 1-(2-bromoethylsulfonyl)-4-chlorobenzene?
1-(2-bromoethylsulfonyl)-4-chlorobenzene has a molecular weight of 283.57 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethylsulfonyl)-4-chlorobenzene is sourced from PubChem (CID 18526465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).