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

C24H18ClFN2O4S — CID 2136681

IUPAC2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1Cl
InChIInChI=1S/C24H18ClFN2O4S/c1-15-7-9-17(12-20(15)25)27-23(29)14-28-13-22(33(31,32)18-5-3-2-4-6-18)24(30)19-11-16(26)8-10-21(19)28/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVMZHOIRAXZOQND-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.57
Rot. Bonds5

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

2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 2136681) has the molecular formula C24H18ClFN2O4S and a molecular weight of 484.94 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID2136681
Molecular FormulaC24H18ClFN2O4S
Molecular Weight484.94 g/mol
Exact Mass484.07
IUPAC Name2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1Cl
InChIInChI=1S/C24H18ClFN2O4S/c1-15-7-9-17(12-20(15)25)27-23(29)14-28-13-22(33(31,32)18-5-3-2-4-6-18)24(30)19-11-16(26)8-10-21(19)28/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVMZHOIRAXZOQND-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide (CID 2136681) is 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)cc1Cl.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is VMZHOIRAXZOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O4S/c1-15-7-9-17(12-20(15)25)27-23(29)14-28-13-22(33(31,32)18-5-3-2-4-6-18)24(30)19-11-16(26)8-10-21(19)28/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide?
2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)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 2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 2136681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).