3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one

C21H15NO4S — CID 54705173

IUPAC3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H15NO4S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)27(25,26)16-11-5-2-6-12-16/h1-14,23H
InChIKeyVQACOCBSQUYCIU-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.53
Rot. Bonds3

About 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one

3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 54705173) has the molecular formula C21H15NO4S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
PubChem CID54705173
Molecular FormulaC21H15NO4S
Molecular Weight377.42 g/mol
Exact Mass377.07
IUPAC Name3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H15NO4S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)27(25,26)16-11-5-2-6-12-16/h1-14,23H
InChIKeyVQACOCBSQUYCIU-UHFFFAOYSA-N
XLogP3.53
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
CID 54685600
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
2-(benzenesulfonyl)-3-chloronaphthalene-1,4-diol
CID 141482918
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
4-hydroxy-3-(1,2-oxazol-3-yl)-1-phenylquinolin-2-one
CID 135449722
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one (CID 54705173) is 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one is O=c1c(S(=O)(=O)c2ccccc2)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is VQACOCBSQUYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4S/c23-19-17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)21(24)20(19)27(25,26)16-11-5-2-6-12-16/h1-14,23H.
What are the key properties of 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one?
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 377.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 54705173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).