6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

C24H16ClN3O2S — CID 1214627

IUPAC6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1
InChIInChI=1S/C24H16ClN3O2S/c25-19-13-11-17(12-14-19)21-15-23-26-16-22(31(29,30)20-9-5-2-6-10-20)24(28(23)27-21)18-7-3-1-4-8-18/h1-16H
InChIKeySKQLCILBFWYXCB-UHFFFAOYSA-N
MW445.93 g/mol
LogP5.55
Rot. Bonds4

About 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1214627) has the molecular formula C24H16ClN3O2S and a molecular weight of 445.93 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1214627
Molecular FormulaC24H16ClN3O2S
Molecular Weight445.93 g/mol
Exact Mass445.07
IUPAC Name6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1
InChIInChI=1S/C24H16ClN3O2S/c25-19-13-11-17(12-14-19)21-15-23-26-16-22(31(29,30)20-9-5-2-6-10-20)24(28(23)27-21)18-7-3-1-4-8-18/h1-16H
InChIKeySKQLCILBFWYXCB-UHFFFAOYSA-N
XLogP5.55
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.93
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (CID 1214627) is 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SKQLCILBFWYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2S/c25-19-13-11-17(12-14-19)21-15-23-26-16-22(31(29,30)20-9-5-2-6-10-20)24(28(23)27-21)18-7-3-1-4-8-18/h1-16H.
What are the key properties of 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 445.93 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1214627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).