8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one

C18H14Cl2F3N3O3S — CID 118042844

IUPAC8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1Nn1cnc2c(Cl)cc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C18H14Cl2F3N3O3S/c1-9(2)30(28,29)15-4-3-11(19)7-14(15)25-26-8-24-16-12(17(26)27)5-10(6-13(16)20)18(21,22)23/h3-9,25H,1-2H3
InChIKeyFSVQKUWVFNFJBS-UHFFFAOYSA-N
MW480.30 g/mol
LogP4.78
Rot. Bonds4

About 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one

8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one (PubChem CID 118042844) has the molecular formula C18H14Cl2F3N3O3S and a molecular weight of 480.30 g/mol. Its IUPAC name is 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one
PubChem CID118042844
Molecular FormulaC18H14Cl2F3N3O3S
Molecular Weight480.30 g/mol
Exact Mass479.01
IUPAC Name8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1Nn1cnc2c(Cl)cc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C18H14Cl2F3N3O3S/c1-9(2)30(28,29)15-4-3-11(19)7-14(15)25-26-8-24-16-12(17(26)27)5-10(6-13(16)20)18(21,22)23/h3-9,25H,1-2H3
InChIKeyFSVQKUWVFNFJBS-UHFFFAOYSA-N
XLogP4.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one (CID 118042844) is 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one is CC(C)S(=O)(=O)c1ccc(Cl)cc1Nn1cnc2c(Cl)cc(C(F)(F)F)cc2c1=O.
What is the InChIKey of 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one?
The InChIKey is FSVQKUWVFNFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O3S/c1-9(2)30(28,29)15-4-3-11(19)7-14(15)25-26-8-24-16-12(17(26)27)5-10(6-13(16)20)18(21,22)23/h3-9,25H,1-2H3.
What are the key properties of 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one?
8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one has a molecular weight of 480.30 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(5-chloro-2-propan-2-ylsulfonylanilino)-6-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 118042844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).