2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide

C23H16ClFN2O4S — CID 2141324

IUPAC2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H16ClFN2O4S/c24-18-12-15(10-11-19(18)25)26-22(28)14-27-13-21(23(29)17-8-4-5-9-20(17)27)32(30,31)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,28)
InChIKeyQXMZRGMWHFTFGL-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.27
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide

2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 2141324) has the molecular formula C23H16ClFN2O4S and a molecular weight of 470.91 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID2141324
Molecular FormulaC23H16ClFN2O4S
Molecular Weight470.91 g/mol
Exact Mass470.05
IUPAC Name2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H16ClFN2O4S/c24-18-12-15(10-11-19(18)25)26-22(28)14-27-13-21(23(29)17-8-4-5-9-20(17)27)32(30,31)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,28)
InChIKeyQXMZRGMWHFTFGL-UHFFFAOYSA-N
XLogP4.27
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 2141324) is 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide is O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is QXMZRGMWHFTFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O4S/c24-18-12-15(10-11-19(18)25)26-22(28)14-27-13-21(23(29)17-8-4-5-9-20(17)27)32(30,31)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,28).
What are the key properties of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 470.91 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 2141324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).