2-bromo-4-(4-fluorophenyl)sulfonylquinoline

C15H9BrFNO2S — CID 174969709

IUPAC2-bromo-4-(4-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(Br)nc2ccccc12
InChIInChI=1S/C15H9BrFNO2S/c16-15-9-14(12-3-1-2-4-13(12)18-15)21(19,20)11-7-5-10(17)6-8-11/h1-9H
InChIKeyMTHMQELVEFZUHC-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.97
Rot. Bonds2

About 2-bromo-4-(4-fluorophenyl)sulfonylquinoline

2-bromo-4-(4-fluorophenyl)sulfonylquinoline (PubChem CID 174969709) has the molecular formula C15H9BrFNO2S and a molecular weight of 366.21 g/mol. Its IUPAC name is 2-bromo-4-(4-fluorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name2-bromo-4-(4-fluorophenyl)sulfonylquinoline
PubChem CID174969709
Molecular FormulaC15H9BrFNO2S
Molecular Weight366.21 g/mol
Exact Mass364.95
IUPAC Name2-bromo-4-(4-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(Br)nc2ccccc12
InChIInChI=1S/C15H9BrFNO2S/c16-15-9-14(12-3-1-2-4-13(12)18-15)21(19,20)11-7-5-10(17)6-8-11/h1-9H
InChIKeyMTHMQELVEFZUHC-UHFFFAOYSA-N
XLogP3.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-fluorophenyl)sulfonylquinoline?
The IUPAC name of 2-bromo-4-(4-fluorophenyl)sulfonylquinoline (CID 174969709) is 2-bromo-4-(4-fluorophenyl)sulfonylquinoline.
What is the SMILES notation for 2-bromo-4-(4-fluorophenyl)sulfonylquinoline?
The canonical SMILES for 2-bromo-4-(4-fluorophenyl)sulfonylquinoline is O=S(=O)(c1ccc(F)cc1)c1cc(Br)nc2ccccc12.
What is the InChIKey of 2-bromo-4-(4-fluorophenyl)sulfonylquinoline?
The InChIKey is MTHMQELVEFZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2S/c16-15-9-14(12-3-1-2-4-13(12)18-15)21(19,20)11-7-5-10(17)6-8-11/h1-9H.
What are the key properties of 2-bromo-4-(4-fluorophenyl)sulfonylquinoline?
2-bromo-4-(4-fluorophenyl)sulfonylquinoline has a molecular weight of 366.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-fluorophenyl)sulfonylquinoline is sourced from PubChem (CID 174969709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).