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

C20H18N2O3S — CID 66883453

IUPAC3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccccc3)n1S(=O)(=O)c1ccccc1)CCCC2
InChIInChI=1S/C20H18N2O3S/c23-20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)22(20)26(24,25)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyWWFUAMQUGHHFJB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.03
Rot. Bonds3

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

3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 66883453) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID66883453
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccccc3)n1S(=O)(=O)c1ccccc1)CCCC2
InChIInChI=1S/C20H18N2O3S/c23-20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)22(20)26(24,25)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyWWFUAMQUGHHFJB-UHFFFAOYSA-N
XLogP3.03
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 66883453) is 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one is O=c1c2c(nc(-c3ccccc3)n1S(=O)(=O)c1ccccc1)CCCC2.
What is the InChIKey of 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is WWFUAMQUGHHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20-17-13-7-8-14-18(17)21-19(15-9-3-1-4-10-15)22(20)26(24,25)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 366.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 66883453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).