6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one

C20H18N2O3S — CID 66885104

IUPAC6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2)NC2=CC=C(S(=O)(=O)c3ccccc3)CC12
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/h1-12,17,19,21H,13H2,(H,22,23)
InChIKeyKCRRXOVRLWAHOQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.67
Rot. Bonds3

About 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one

6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one (PubChem CID 66885104) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one
PubChem CID66885104
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2)NC2=CC=C(S(=O)(=O)c3ccccc3)CC12
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/h1-12,17,19,21H,13H2,(H,22,23)
InChIKeyKCRRXOVRLWAHOQ-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one?
The IUPAC name of 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one (CID 66885104) is 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one?
The canonical SMILES for 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2)NC2=CC=C(S(=O)(=O)c3ccccc3)CC12.
What is the InChIKey of 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one?
The InChIKey is KCRRXOVRLWAHOQ-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/h1-12,17,19,21H,13H2,(H,22,23).
What are the key properties of 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one?
6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one has a molecular weight of 366.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-phenyl-2,3,4a,5-tetrahydro-1H-quinazolin-4-one is sourced from PubChem (CID 66885104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).