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

C20H18N2O3S — CID 135414422

IUPAC6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C20H18N2O3S/c23-20-17-13-16(26(24,25)15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22,23)
InChIKeyVPVOHVVJFCRSHR-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.77
Rot. Bonds3

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

6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135414422) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135414422
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C20H18N2O3S/c23-20-17-13-16(26(24,25)15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22,23)
InChIKeyVPVOHVVJFCRSHR-UHFFFAOYSA-N
XLogP2.77
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135414422) is 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CC(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is VPVOHVVJFCRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20-17-13-16(26(24,25)15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22,23).
What are the key properties of 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 366.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135414422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).