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

C24H18ClFN2O4S — CID 2136964

IUPACN-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C24H18ClFN2O4S/c1-15-6-9-17(12-20(15)25)27-23(29)14-28-13-22(24(30)19-4-2-3-5-21(19)28)33(31,32)18-10-7-16(26)8-11-18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVMFUAVFEMITTLE-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.57
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (PubChem CID 2136964) has the molecular formula C24H18ClFN2O4S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
PubChem CID2136964
Molecular FormulaC24H18ClFN2O4S
Molecular Weight484.94 g/mol
Exact Mass484.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C24H18ClFN2O4S/c1-15-6-9-17(12-20(15)25)27-23(29)14-28-13-22(24(30)19-4-2-3-5-21(19)28)33(31,32)18-10-7-16(26)8-11-18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVMFUAVFEMITTLE-UHFFFAOYSA-N
XLogP4.57
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 20869342

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (CID 2136964) is N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The InChIKey is VMFUAVFEMITTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O4S/c1-15-6-9-17(12-20(15)25)27-23(29)14-28-13-22(24(30)19-4-2-3-5-21(19)28)33(31,32)18-10-7-16(26)8-11-18/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide has a molecular weight of 484.94 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2136964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).