2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

C24H18F2N2O4S — CID 15944876

IUPAC2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H18F2N2O4S/c1-15-2-7-18(8-3-15)27-23(29)14-28-13-22(24(30)20-12-17(26)6-11-21(20)28)33(31,32)19-9-4-16(25)5-10-19/h2-13H,14H2,1H3,(H,27,29)
InChIKeyYYDPZFFISFJSCM-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.06
Rot. Bonds5

About 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 15944876) has the molecular formula C24H18F2N2O4S and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID15944876
Molecular FormulaC24H18F2N2O4S
Molecular Weight468.48 g/mol
Exact Mass468.10
IUPAC Name2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H18F2N2O4S/c1-15-2-7-18(8-3-15)27-23(29)14-28-13-22(24(30)20-12-17(26)6-11-21(20)28)33(31,32)19-9-4-16(25)5-10-19/h2-13H,14H2,1H3,(H,27,29)
InChIKeyYYDPZFFISFJSCM-UHFFFAOYSA-N
XLogP4.06
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (CID 15944876) is 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is YYDPZFFISFJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4S/c1-15-2-7-18(8-3-15)27-23(29)14-28-13-22(24(30)20-12-17(26)6-11-21(20)28)33(31,32)19-9-4-16(25)5-10-19/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 468.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 15944876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).