3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide

C23H16ClN5O3S — CID 24780174

IUPAC3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccccc4)nc32)c1
InChIInChI=1S/C23H16ClN5O3S/c24-16-9-11-17(12-10-16)28-21(15-5-2-1-3-6-15)27-22-20(23(28)30)14-26-29(22)18-7-4-8-19(13-18)33(25,31)32/h1-14H,(H2,25,31,32)
InChIKeyGUDPMWNUEPZDEL-UHFFFAOYSA-N
MW477.93 g/mol
LogP3.54
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide

3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide (PubChem CID 24780174) has the molecular formula C23H16ClN5O3S and a molecular weight of 477.93 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
PubChem CID24780174
Molecular FormulaC23H16ClN5O3S
Molecular Weight477.93 g/mol
Exact Mass477.07
IUPAC Name3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccccc4)nc32)c1
InChIInChI=1S/C23H16ClN5O3S/c24-16-9-11-17(12-10-16)28-21(15-5-2-1-3-6-15)27-22-20(23(28)30)14-26-29(22)18-7-4-8-19(13-18)33(25,31)32/h1-14H,(H2,25,31,32)
InChIKeyGUDPMWNUEPZDEL-UHFFFAOYSA-N
XLogP3.54
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-Chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 2274955
5-(4-Chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 2275223
4-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 44442431
3-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 23655076
5-(4-chlorophenyl)-6-methyl-1-o-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44442428
5-(4-chlorophenyl)-6-methyl-1-m-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44442429
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394598
1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
CID 57401680
1-(4-Chlorophenyl)-5-(3-ethylphenyl)-6-methyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990635
5-(3-Chlorophenyl)-6-(3-methylphenyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 2274467
5-(4-Chlorophenyl)-6-(3-methylphenyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 2274827

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide (CID 24780174) is 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccccc4)nc32)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide?
The InChIKey is GUDPMWNUEPZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3S/c24-16-9-11-17(12-10-16)28-21(15-5-2-1-3-6-15)27-22-20(23(28)30)14-26-29(22)18-7-4-8-19(13-18)33(25,31)32/h1-14H,(H2,25,31,32).
What are the key properties of 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide?
3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide has a molecular weight of 477.93 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-4-oxo-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 24780174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).