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

C23H18N4O3S — CID 90643954

IUPAC3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H18N4O3S/c1-26-22-14-20(15-6-3-2-4-7-15)25-27(22)21-13-17(10-11-19(21)23(26)28)16-8-5-9-18(12-16)31(24,29)30/h2-14H,1H3,(H2,24,29,30)
InChIKeyJWYKIBUUCORMDZ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.17
Rot. Bonds3

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

3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide (PubChem CID 90643954) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide
PubChem CID90643954
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H18N4O3S/c1-26-22-14-20(15-6-3-2-4-7-15)25-27(22)21-13-17(10-11-19(21)23(26)28)16-8-5-9-18(12-16)31(24,29)30/h2-14H,1H3,(H2,24,29,30)
InChIKeyJWYKIBUUCORMDZ-UHFFFAOYSA-N
XLogP3.17
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide (CID 90643954) is 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide is Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide?
The InChIKey is JWYKIBUUCORMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-26-22-14-20(15-6-3-2-4-7-15)25-27(22)21-13-17(10-11-19(21)23(26)28)16-8-5-9-18(12-16)31(24,29)30/h2-14H,1H3,(H2,24,29,30).
What are the key properties of 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide?
3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 90643954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).