N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide

C20H16FN3O3S — CID 4055983

IUPACN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide
SMILESO=C1c2ccccc2NC(c2ccccc2F)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16FN3O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(25)24(19)23-28(26,27)14-8-2-1-3-9-14/h1-13,19,22-23H
InChIKeyLMGHOLPHLFEJFE-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide

N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide (PubChem CID 4055983) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide
PubChem CID4055983
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide
SMILESO=C1c2ccccc2NC(c2ccccc2F)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16FN3O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(25)24(19)23-28(26,27)14-8-2-1-3-9-14/h1-13,19,22-23H
InChIKeyLMGHOLPHLFEJFE-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide (CID 4055983) is N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide is O=C1c2ccccc2NC(c2ccccc2F)N1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide?
The InChIKey is LMGHOLPHLFEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(25)24(19)23-28(26,27)14-8-2-1-3-9-14/h1-13,19,22-23H.
What are the key properties of N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide?
N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 4055983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).