3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide

C23H17FN4O3S — CID 90643957

IUPAC3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3cccc(F)c3)cc12
InChIInChI=1S/C23H17FN4O3S/c1-27-22-13-20(16-5-2-6-17(24)10-16)26-28(22)21-12-15(8-9-19(21)23(27)29)14-4-3-7-18(11-14)32(25,30)31/h2-13H,1H3,(H2,25,30,31)
InChIKeyRWMYZHJFCCCTJF-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.31
Rot. Bonds3

About 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide

3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide (PubChem CID 90643957) has the molecular formula C23H17FN4O3S and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
PubChem CID90643957
Molecular FormulaC23H17FN4O3S
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC Name3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3cccc(F)c3)cc12
InChIInChI=1S/C23H17FN4O3S/c1-27-22-13-20(16-5-2-6-17(24)10-16)26-28(22)21-12-15(8-9-19(21)23(27)29)14-4-3-7-18(11-14)32(25,30)31/h2-13H,1H3,(H2,25,30,31)
InChIKeyRWMYZHJFCCCTJF-UHFFFAOYSA-N
XLogP3.31
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide (CID 90643957) is 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide is Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3cccc(F)c3)cc12.
What is the InChIKey of 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The InChIKey is RWMYZHJFCCCTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S/c1-27-22-13-20(16-5-2-6-17(24)10-16)26-28(22)21-12-15(8-9-19(21)23(27)29)14-4-3-7-18(11-14)32(25,30)31/h2-13H,1H3,(H2,25,30,31).
What are the key properties of 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide has a molecular weight of 448.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 90643957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).