7-fluoro-8-methylquinoline-5-sulfonyl chloride

C10H7ClFNO2S — CID 54593009

IUPAC7-fluoro-8-methylquinoline-5-sulfonyl chloride
SMILESCc1c(F)cc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C10H7ClFNO2S/c1-6-8(12)5-9(16(11,14)15)7-3-2-4-13-10(6)7/h2-5H,1H3
InChIKeyVWCVSMRDISNEAH-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.61
Rot. Bonds1

About 7-fluoro-8-methylquinoline-5-sulfonyl chloride

7-fluoro-8-methylquinoline-5-sulfonyl chloride (PubChem CID 54593009) has the molecular formula C10H7ClFNO2S and a molecular weight of 259.69 g/mol. Its IUPAC name is 7-fluoro-8-methylquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name7-fluoro-8-methylquinoline-5-sulfonyl chloride
PubChem CID54593009
Molecular FormulaC10H7ClFNO2S
Molecular Weight259.69 g/mol
Exact Mass258.99
IUPAC Name7-fluoro-8-methylquinoline-5-sulfonyl chloride
SMILESCc1c(F)cc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C10H7ClFNO2S/c1-6-8(12)5-9(16(11,14)15)7-3-2-4-13-10(6)7/h2-5H,1H3
InChIKeyVWCVSMRDISNEAH-UHFFFAOYSA-N
XLogP2.61
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methylquinoline-5-sulfonyl chloride?
The IUPAC name of 7-fluoro-8-methylquinoline-5-sulfonyl chloride (CID 54593009) is 7-fluoro-8-methylquinoline-5-sulfonyl chloride.
What is the SMILES notation for 7-fluoro-8-methylquinoline-5-sulfonyl chloride?
The canonical SMILES for 7-fluoro-8-methylquinoline-5-sulfonyl chloride is Cc1c(F)cc(S(=O)(=O)Cl)c2cccnc12.
What is the InChIKey of 7-fluoro-8-methylquinoline-5-sulfonyl chloride?
The InChIKey is VWCVSMRDISNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2S/c1-6-8(12)5-9(16(11,14)15)7-3-2-4-13-10(6)7/h2-5H,1H3.
What are the key properties of 7-fluoro-8-methylquinoline-5-sulfonyl chloride?
7-fluoro-8-methylquinoline-5-sulfonyl chloride has a molecular weight of 259.69 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methylquinoline-5-sulfonyl chloride is sourced from PubChem (CID 54593009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).