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

C15H13ClFN3O3S — CID 71272293

IUPAC2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)ccc2NC1=O
InChIInChI=1S/C15H13ClFN3O3S/c1-20-8-9-6-11(3-4-13(9)18-15(20)21)19-24(22,23)14-5-2-10(17)7-12(14)16/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyFEUGZEDXLNJAIG-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.26
Rot. Bonds3

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

2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (PubChem CID 71272293) has the molecular formula C15H13ClFN3O3S and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
PubChem CID71272293
Molecular FormulaC15H13ClFN3O3S
Molecular Weight369.81 g/mol
Exact Mass369.04
IUPAC Name2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)ccc2NC1=O
InChIInChI=1S/C15H13ClFN3O3S/c1-20-8-9-6-11(3-4-13(9)18-15(20)21)19-24(22,23)14-5-2-10(17)7-12(14)16/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyFEUGZEDXLNJAIG-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (CID 71272293) is 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is CN1Cc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)ccc2NC1=O.
What is the InChIKey of 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The InChIKey is FEUGZEDXLNJAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O3S/c1-20-8-9-6-11(3-4-13(9)18-15(20)21)19-24(22,23)14-5-2-10(17)7-12(14)16/h2-7,19H,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide has a molecular weight of 369.81 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71272293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).