3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one

C20H21NO3S — CID 162411610

IUPAC3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
SMILESCCCCc1cc2ccccc2n(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H21NO3S/c1-3-4-7-17-14-16-8-5-6-9-19(16)21(20(17)22)25(23,24)18-12-10-15(2)11-13-18/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyFCDOLYCEWCHQIF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.89
Rot. Bonds5

About 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one

3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one (PubChem CID 162411610) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one.

Molecular Properties

Compound Name3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
PubChem CID162411610
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
SMILESCCCCc1cc2ccccc2n(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H21NO3S/c1-3-4-7-17-14-16-8-5-6-9-19(16)21(20(17)22)25(23,24)18-12-10-15(2)11-13-18/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyFCDOLYCEWCHQIF-UHFFFAOYSA-N
XLogP3.89
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
1-(4-methylphenyl)sulfonyl-2-(1-piperidin-1-yloctyl)indole
CID 24899110
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
3-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propanal
CID 101417591
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
CID 7226489
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one?
The IUPAC name of 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one (CID 162411610) is 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one.
What is the SMILES notation for 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one?
The canonical SMILES for 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one is CCCCc1cc2ccccc2n(S(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one?
The InChIKey is FCDOLYCEWCHQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-3-4-7-17-14-16-8-5-6-9-19(16)21(20(17)22)25(23,24)18-12-10-15(2)11-13-18/h5-6,8-14H,3-4,7H2,1-2H3.
What are the key properties of 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one?
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one is sourced from PubChem (CID 162411610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).