2-sulfosulfonylquinoline

C9H7NO5S2 — CID 175503554

IUPAC2-sulfosulfonylquinoline
SMILESO=S(=O)(O)S(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C9H7NO5S2/c11-16(12,17(13,14)15)9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,13,14,15)
InChIKeySULPTNLZATZGOP-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.81
Rot. Bonds2

About 2-sulfosulfonylquinoline

2-sulfosulfonylquinoline (PubChem CID 175503554) has the molecular formula C9H7NO5S2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-sulfosulfonylquinoline.

Molecular Properties

Compound Name2-sulfosulfonylquinoline
PubChem CID175503554
Molecular FormulaC9H7NO5S2
Molecular Weight273.29 g/mol
Exact Mass272.98
IUPAC Name2-sulfosulfonylquinoline
SMILESO=S(=O)(O)S(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C9H7NO5S2/c11-16(12,17(13,14)15)9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,13,14,15)
InChIKeySULPTNLZATZGOP-UHFFFAOYSA-N
XLogP0.81
TPSA101.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(trichloromethylsulfonyl)quinoline
CID 20582659
2-(4-chlorophenyl)sulfonylquinoline
CID 122229120
quinolin-2-amine;sulfuric acid
CID 159149397
2-[dibromo(chloro)methyl]sulfonylquinoline
CID 139808681
2-benzylsulfonylquinoline
CID 134095995
dimethyl-quinolin-2-yl-sulfanyl-λ4-sulfane
CID 123616548
quinolin-2-ylsulfamic acid
CID 141346931
2-pentylsulfonylquinoline
CID 174165146
silver quinolin-2-olate
CID 162166701
methanesulfonic acid;quinoline-2-carboxylic acid;hydrate
CID 172686492
copper;quinoline;sulfuric acid
CID 174956434
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284

Frequently Asked Questions

What is the IUPAC name of 2-sulfosulfonylquinoline?
The IUPAC name of 2-sulfosulfonylquinoline (CID 175503554) is 2-sulfosulfonylquinoline.
What is the SMILES notation for 2-sulfosulfonylquinoline?
The canonical SMILES for 2-sulfosulfonylquinoline is O=S(=O)(O)S(=O)(=O)c1ccc2ccccc2n1.
What is the InChIKey of 2-sulfosulfonylquinoline?
The InChIKey is SULPTNLZATZGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S2/c11-16(12,17(13,14)15)9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,13,14,15).
What are the key properties of 2-sulfosulfonylquinoline?
2-sulfosulfonylquinoline has a molecular weight of 273.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfosulfonylquinoline is sourced from PubChem (CID 175503554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).