2-[dibromo(chloro)methyl]sulfonylquinoline

C10H6Br2ClNO2S — CID 139808681

IUPAC2-[dibromo(chloro)methyl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C(Cl)(Br)Br
InChIInChI=1S/C10H6Br2ClNO2S/c11-10(12,13)17(15,16)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKeyHEBFSDJGVFHVTA-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.65
Rot. Bonds2

About 2-[dibromo(chloro)methyl]sulfonylquinoline

2-[dibromo(chloro)methyl]sulfonylquinoline (PubChem CID 139808681) has the molecular formula C10H6Br2ClNO2S and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[dibromo(chloro)methyl]sulfonylquinoline.

Molecular Properties

Compound Name2-[dibromo(chloro)methyl]sulfonylquinoline
PubChem CID139808681
Molecular FormulaC10H6Br2ClNO2S
Molecular Weight399.49 g/mol
Exact Mass396.82
IUPAC Name2-[dibromo(chloro)methyl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C(Cl)(Br)Br
InChIInChI=1S/C10H6Br2ClNO2S/c11-10(12,13)17(15,16)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKeyHEBFSDJGVFHVTA-UHFFFAOYSA-N
XLogP3.65
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(trichloromethylsulfonyl)quinoline
CID 20582659
2-sulfosulfonylquinoline
CID 175503554
2-(4-chlorophenyl)sulfonylquinoline
CID 122229120
2-benzylsulfonylquinoline
CID 134095995
dimethyl-quinolin-2-yl-sulfanyl-λ4-sulfane
CID 123616548
2-pentylsulfonylquinoline
CID 174165146
quinazoline-2-sulfonyl fluoride
CID 119090579
quinolin-2-amine;sulfuric acid
CID 159149397
silver quinolin-2-olate
CID 162166701
2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide
CID 75442343
2-(methylsulfonylmethyl)quinoline
CID 14901365
quinolin-2-ylmethanesulfonamide
CID 43164320

Frequently Asked Questions

What is the IUPAC name of 2-[dibromo(chloro)methyl]sulfonylquinoline?
The IUPAC name of 2-[dibromo(chloro)methyl]sulfonylquinoline (CID 139808681) is 2-[dibromo(chloro)methyl]sulfonylquinoline.
What is the SMILES notation for 2-[dibromo(chloro)methyl]sulfonylquinoline?
The canonical SMILES for 2-[dibromo(chloro)methyl]sulfonylquinoline is O=S(=O)(c1ccc2ccccc2n1)C(Cl)(Br)Br.
What is the InChIKey of 2-[dibromo(chloro)methyl]sulfonylquinoline?
The InChIKey is HEBFSDJGVFHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClNO2S/c11-10(12,13)17(15,16)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H.
What are the key properties of 2-[dibromo(chloro)methyl]sulfonylquinoline?
2-[dibromo(chloro)methyl]sulfonylquinoline has a molecular weight of 399.49 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibromo(chloro)methyl]sulfonylquinoline is sourced from PubChem (CID 139808681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).