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

C20H17FN2O3S — CID 66883099

IUPAC3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccccc3F)n1S(=O)(=O)c1ccccc1)CCCC2
InChIInChI=1S/C20H17FN2O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)27(25,26)14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2
InChIKeyLQWNOLOBFYKUMF-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.17
Rot. Bonds3

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

3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 66883099) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID66883099
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(nc(-c3ccccc3F)n1S(=O)(=O)c1ccccc1)CCCC2
InChIInChI=1S/C20H17FN2O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)27(25,26)14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2
InChIKeyLQWNOLOBFYKUMF-UHFFFAOYSA-N
XLogP3.17
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 66883099) is 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one is O=c1c2c(nc(-c3ccccc3F)n1S(=O)(=O)c1ccccc1)CCCC2.
What is the InChIKey of 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is LQWNOLOBFYKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)27(25,26)14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11,13H2.
What are the key properties of 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 384.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 66883099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).