4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride

C15H8ClF2NO4S2 — CID 5140625

IUPAC4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1
InChIInChI=1S/C15H8ClF2NO4S2/c16-13-8-15(9-1-3-10(4-2-9)24(17,20)21)19-14-6-5-11(7-12(13)14)25(18,22)23/h1-8H
InChIKeyWQNRQOZBUZSRKB-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride

4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride (PubChem CID 5140625) has the molecular formula C15H8ClF2NO4S2 and a molecular weight of 403.82 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride
PubChem CID5140625
Molecular FormulaC15H8ClF2NO4S2
Molecular Weight403.82 g/mol
Exact Mass402.96
IUPAC Name4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1
InChIInChI=1S/C15H8ClF2NO4S2/c16-13-8-15(9-1-3-10(4-2-9)24(17,20)21)19-14-6-5-11(7-12(13)14)25(18,22)23/h1-8H
InChIKeyWQNRQOZBUZSRKB-UHFFFAOYSA-N
XLogP3.87
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride?
The IUPAC name of 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride (CID 5140625) is 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride?
The canonical SMILES for 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride is O=S(=O)(F)c1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1.
What is the InChIKey of 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride?
The InChIKey is WQNRQOZBUZSRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO4S2/c16-13-8-15(9-1-3-10(4-2-9)24(17,20)21)19-14-6-5-11(7-12(13)14)25(18,22)23/h1-8H.
What are the key properties of 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride?
4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride has a molecular weight of 403.82 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-sulfonyl fluoride is sourced from PubChem (CID 5140625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).