6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C26H22N2O3S — CID 135468086

IUPAC6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C26H22N2O3S/c29-26-23-17-20(32(30,31)19-11-5-2-6-12-19)15-16-24(23)27-25(28-26)22-14-8-7-13-21(22)18-9-3-1-4-10-18/h1-14,20H,15-17H2,(H,27,28,29)
InChIKeyDSEXVAWQEWTODV-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.44
Rot. Bonds4

About 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135468086) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135468086
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C26H22N2O3S/c29-26-23-17-20(32(30,31)19-11-5-2-6-12-19)15-16-24(23)27-25(28-26)22-14-8-7-13-21(22)18-9-3-1-4-10-18/h1-14,20H,15-17H2,(H,27,28,29)
InChIKeyDSEXVAWQEWTODV-UHFFFAOYSA-N
XLogP4.44
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrimidin-6-one
CID 135965948
6-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135475924
tert-butyl 4-oxo-2-phenyl-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-3H-quinazoline-3-carboxylate
CID 11719664
6-(Benzenesulfonyl)-6-methyl-2-phenyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 135399715
6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135414422
6-(benzenesulfonyl)-2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135414450
6-(benzenesulfonyl)-2-(2-bromophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135491952
6-(Benzenesulfonyl)-6-ethyl-2-phenyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 135508089
(6R,7R)-7-methyl-6-(4-methylphenyl)sulfonyl-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135414447
2-((benzylthio)methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 135422785
Tert-butyl 6-(benzenesulfonyl)-8-methyl-4-oxo-2-phenyl-5,6,7,8-tetrahydroquinazoline-3-carboxylate
CID 58016074
3-(Benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 66883453

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135468086) is 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is DSEXVAWQEWTODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-26-23-17-20(32(30,31)19-11-5-2-6-12-19)15-16-24(23)27-25(28-26)22-14-8-7-13-21(22)18-9-3-1-4-10-18/h1-14,20H,15-17H2,(H,27,28,29).
What are the key properties of 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 442.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-(2-phenylphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135468086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).