2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

C15H14FN3O3S — CID 71272064

IUPAC2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccccc3F)ccc2NC1=O
InChIInChI=1S/C15H14FN3O3S/c1-19-9-10-8-11(6-7-13(10)17-15(19)20)18-23(21,22)14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyKHRKHFBEJJSXAS-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (PubChem CID 71272064) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
PubChem CID71272064
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccccc3F)ccc2NC1=O
InChIInChI=1S/C15H14FN3O3S/c1-19-9-10-8-11(6-7-13(10)17-15(19)20)18-23(21,22)14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyKHRKHFBEJJSXAS-UHFFFAOYSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (CID 71272064) is 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is CN1Cc2cc(NS(=O)(=O)c3ccccc3F)ccc2NC1=O.
What is the InChIKey of 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The InChIKey is KHRKHFBEJJSXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-19-9-10-8-11(6-7-13(10)17-15(19)20)18-23(21,22)14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,17,20).
What are the key properties of 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71272064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).