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

C23H15ClF2N2O4S — CID 20869314

IUPACN-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C23H15ClF2N2O4S/c24-14-2-1-3-17(10-14)27-22(29)13-28-12-21(23(30)19-11-16(26)6-9-20(19)28)33(31,32)18-7-4-15(25)5-8-18/h1-12H,13H2,(H,27,29)
InChIKeyXNRYXZDCGSGTNW-UHFFFAOYSA-N
MW488.90 g/mol
LogP4.40
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (PubChem CID 20869314) has the molecular formula C23H15ClF2N2O4S and a molecular weight of 488.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
PubChem CID20869314
Molecular FormulaC23H15ClF2N2O4S
Molecular Weight488.90 g/mol
Exact Mass488.04
IUPAC NameN-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C23H15ClF2N2O4S/c24-14-2-1-3-17(10-14)27-22(29)13-28-12-21(23(30)19-11-16(26)6-9-20(19)28)33(31,32)18-7-4-15(25)5-8-18/h1-12H,13H2,(H,27,29)
InChIKeyXNRYXZDCGSGTNW-UHFFFAOYSA-N
XLogP4.40
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.90
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (CID 20869314) is N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The InChIKey is XNRYXZDCGSGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O4S/c24-14-2-1-3-17(10-14)27-22(29)13-28-12-21(23(30)19-11-16(26)6-9-20(19)28)33(31,32)18-7-4-15(25)5-8-18/h1-12H,13H2,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide has a molecular weight of 488.90 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 20869314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).