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

C16H13NO3S — CID 11652332

IUPAC1-(4-methylphenyl)sulfonylquinolin-2-one
SMILESCc1ccc(S(=O)(=O)n2c(=O)ccc3ccccc32)cc1
InChIInChI=1S/C16H13NO3S/c1-12-6-9-14(10-7-12)21(19,20)17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11H,1H3
InChIKeyNSFQAPYTSFGQOV-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.55
Rot. Bonds2

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

1-(4-methylphenyl)sulfonylquinolin-2-one (PubChem CID 11652332) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylquinolin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylquinolin-2-one
PubChem CID11652332
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name1-(4-methylphenyl)sulfonylquinolin-2-one
SMILESCc1ccc(S(=O)(=O)n2c(=O)ccc3ccccc32)cc1
InChIInChI=1S/C16H13NO3S/c1-12-6-9-14(10-7-12)21(19,20)17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11H,1H3
InChIKeyNSFQAPYTSFGQOV-UHFFFAOYSA-N
XLogP2.55
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.55
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
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
CID 25228635
2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
CID 53320345
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylquinolin-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonylquinolin-2-one (CID 11652332) is 1-(4-methylphenyl)sulfonylquinolin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylquinolin-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonylquinolin-2-one is Cc1ccc(S(=O)(=O)n2c(=O)ccc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylquinolin-2-one?
The InChIKey is NSFQAPYTSFGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-12-6-9-14(10-7-12)21(19,20)17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylquinolin-2-one?
1-(4-methylphenyl)sulfonylquinolin-2-one has a molecular weight of 299.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylquinolin-2-one is sourced from PubChem (CID 11652332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).