8-fluoroquinoline-5-sulfonyl chloride

C9H5ClFNO2S — CID 43423271

IUPAC8-fluoroquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c2ncccc12
InChIInChI=1S/C9H5ClFNO2S/c10-15(13,14)8-4-3-7(11)9-6(8)2-1-5-12-9/h1-5H
InChIKeyWFHNJMBOSBJIPK-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.30
Rot. Bonds1

About 8-fluoroquinoline-5-sulfonyl chloride

8-fluoroquinoline-5-sulfonyl chloride (PubChem CID 43423271) has the molecular formula C9H5ClFNO2S and a molecular weight of 245.66 g/mol. Its IUPAC name is 8-fluoroquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name8-fluoroquinoline-5-sulfonyl chloride
PubChem CID43423271
Molecular FormulaC9H5ClFNO2S
Molecular Weight245.66 g/mol
Exact Mass244.97
IUPAC Name8-fluoroquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c2ncccc12
InChIInChI=1S/C9H5ClFNO2S/c10-15(13,14)8-4-3-7(11)9-6(8)2-1-5-12-9/h1-5H
InChIKeyWFHNJMBOSBJIPK-UHFFFAOYSA-N
XLogP2.30
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoroquinoline-5-sulfonyl chloride?
The IUPAC name of 8-fluoroquinoline-5-sulfonyl chloride (CID 43423271) is 8-fluoroquinoline-5-sulfonyl chloride.
What is the SMILES notation for 8-fluoroquinoline-5-sulfonyl chloride?
The canonical SMILES for 8-fluoroquinoline-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc(F)c2ncccc12.
What is the InChIKey of 8-fluoroquinoline-5-sulfonyl chloride?
The InChIKey is WFHNJMBOSBJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-4-3-7(11)9-6(8)2-1-5-12-9/h1-5H.
What are the key properties of 8-fluoroquinoline-5-sulfonyl chloride?
8-fluoroquinoline-5-sulfonyl chloride has a molecular weight of 245.66 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoroquinoline-5-sulfonyl chloride is sourced from PubChem (CID 43423271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).