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

C23H17ClN4O3S — CID 90643970

IUPAC3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H17ClN4O3S/c1-27-22-13-20(14-5-8-17(24)9-6-14)26-28(22)21-12-16(7-10-19(21)23(27)29)15-3-2-4-18(11-15)32(25,30)31/h2-13H,1H3,(H2,25,30,31)
InChIKeyITCWGWPKAQLPEG-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.82
Rot. Bonds3

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

3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide (PubChem CID 90643970) has the molecular formula C23H17ClN4O3S and a molecular weight of 464.93 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
PubChem CID90643970
Molecular FormulaC23H17ClN4O3S
Molecular Weight464.93 g/mol
Exact Mass464.07
IUPAC Name3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H17ClN4O3S/c1-27-22-13-20(14-5-8-17(24)9-6-14)26-28(22)21-12-16(7-10-19(21)23(27)29)15-3-2-4-18(11-15)32(25,30)31/h2-13H,1H3,(H2,25,30,31)
InChIKeyITCWGWPKAQLPEG-UHFFFAOYSA-N
XLogP3.82
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide
CID 90643954
2-(4-Chlorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
CID 90643971
3-[2-(4-Fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
CID 90643966
4-Methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one
CID 90643955
3-[2-(3-Fluorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
CID 90643957
4-Methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90681338
2-(3-Chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90681340
2-(4-Chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90681345
2-(4-Chlorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
CID 90681347
8-(4-Aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 72543798
4-(4-Methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazolin-8-yl)benzenesulfonamide
CID 72544490
8-(4-Chlorophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 72544715

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide (CID 90643970) is 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide is Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
The InChIKey is ITCWGWPKAQLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S/c1-27-22-13-20(14-5-8-17(24)9-6-14)26-28(22)21-12-16(7-10-19(21)23(27)29)15-3-2-4-18(11-15)32(25,30)31/h2-13H,1H3,(H2,25,30,31).
What are the key properties of 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide?
3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide has a molecular weight of 464.93 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 90643970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).