3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one

C21H20N2O3S — CID 66884646

IUPAC3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCC1CCc2nc(-c3ccccc3)n(S(=O)(=O)c3ccccc3)c(=O)c2C1
InChIInChI=1S/C21H20N2O3S/c1-15-12-13-19-18(14-15)21(24)23(20(22-19)16-8-4-2-5-9-16)27(25,26)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeySFQUQOKLUUOFCY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.27
Rot. Bonds3

About 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one

3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 66884646) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID66884646
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCC1CCc2nc(-c3ccccc3)n(S(=O)(=O)c3ccccc3)c(=O)c2C1
InChIInChI=1S/C21H20N2O3S/c1-15-12-13-19-18(14-15)21(24)23(20(22-19)16-8-4-2-5-9-16)27(25,26)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeySFQUQOKLUUOFCY-UHFFFAOYSA-N
XLogP3.27
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 66884646) is 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one is CC1CCc2nc(-c3ccccc3)n(S(=O)(=O)c3ccccc3)c(=O)c2C1.
What is the InChIKey of 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is SFQUQOKLUUOFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-12-13-19-18(14-15)21(24)23(20(22-19)16-8-4-2-5-9-16)27(25,26)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 380.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-methyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 66884646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).