2-(trichloromethylsulfonyl)quinoline

C10H6Cl3NO2S — CID 20582659

IUPAC2-(trichloromethylsulfonyl)quinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H6Cl3NO2S/c11-10(12,13)17(15,16)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKeyCNYSGHUWADDZFD-UHFFFAOYSA-N
MW310.59 g/mol
LogP3.34
Rot. Bonds1

About 2-(trichloromethylsulfonyl)quinoline

2-(trichloromethylsulfonyl)quinoline (PubChem CID 20582659) has the molecular formula C10H6Cl3NO2S and a molecular weight of 310.59 g/mol. Its IUPAC name is 2-(trichloromethylsulfonyl)quinoline.

Molecular Properties

Compound Name2-(trichloromethylsulfonyl)quinoline
PubChem CID20582659
Molecular FormulaC10H6Cl3NO2S
Molecular Weight310.59 g/mol
Exact Mass308.92
IUPAC Name2-(trichloromethylsulfonyl)quinoline
SMILESO=S(=O)(c1ccc2ccccc2n1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H6Cl3NO2S/c11-10(12,13)17(15,16)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H
InChIKeyCNYSGHUWADDZFD-UHFFFAOYSA-N
XLogP3.34
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.59
LogP ≤ 53.34
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-[dibromo(chloro)methyl]sulfonylquinoline
CID 139808681
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
quinolin-2-ylsulfamic acid
CID 141346931
(2R,3S)-2-(2-methylpropyl)-3-(quinolin-2-ylsulfonylamino)butanedioic acid
CID 57324807
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

Frequently Asked Questions

What is the IUPAC name of 2-(trichloromethylsulfonyl)quinoline?
The IUPAC name of 2-(trichloromethylsulfonyl)quinoline (CID 20582659) is 2-(trichloromethylsulfonyl)quinoline.
What is the SMILES notation for 2-(trichloromethylsulfonyl)quinoline?
The canonical SMILES for 2-(trichloromethylsulfonyl)quinoline is O=S(=O)(c1ccc2ccccc2n1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-(trichloromethylsulfonyl)quinoline?
The InChIKey is CNYSGHUWADDZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO2S/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-(trichloromethylsulfonyl)quinoline?
2-(trichloromethylsulfonyl)quinoline has a molecular weight of 310.59 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethylsulfonyl)quinoline is sourced from PubChem (CID 20582659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).