6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine

C24H16Br2N6O2S — CID 11837524

IUPAC6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nn2c(-c3ccc(Br)cc3)c(S(=O)(=O)c3ccccc3)cnc2c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N6O2S/c25-16-8-6-15(7-9-16)22-20(35(33,34)19-4-2-1-3-5-19)14-28-24-21(23(27)31-32(22)24)30-29-18-12-10-17(26)11-13-18/h1-14H,(H2,27,31)/b30-29+
InChIKeyDCUJAQOWRXBLIH-QVIHXGFCSA-N
MW612.31 g/mol
LogP6.75
Rot. Bonds5

About 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine

6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 11837524) has the molecular formula C24H16Br2N6O2S and a molecular weight of 612.31 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID11837524
Molecular FormulaC24H16Br2N6O2S
Molecular Weight612.31 g/mol
Exact Mass609.94
IUPAC Name6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nn2c(-c3ccc(Br)cc3)c(S(=O)(=O)c3ccccc3)cnc2c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C24H16Br2N6O2S/c25-16-8-6-15(7-9-16)22-20(35(33,34)19-4-2-1-3-5-19)14-28-24-21(23(27)31-32(22)24)30-29-18-12-10-17(26)11-13-18/h1-14H,(H2,27,31)/b30-29+
InChIKeyDCUJAQOWRXBLIH-QVIHXGFCSA-N
XLogP6.75
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.31
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 11837524) is 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is Nc1nn2c(-c3ccc(Br)cc3)c(S(=O)(=O)c3ccccc3)cnc2c1/N=N/c1ccc(Br)cc1.
What is the InChIKey of 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DCUJAQOWRXBLIH-QVIHXGFCSA-N. The full InChI is InChI=1S/C24H16Br2N6O2S/c25-16-8-6-15(7-9-16)22-20(35(33,34)19-4-2-1-3-5-19)14-28-24-21(23(27)31-32(22)24)30-29-18-12-10-17(26)11-13-18/h1-14H,(H2,27,31)/b30-29+.
What are the key properties of 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 612.31 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-7-(4-bromophenyl)-3-[(4-bromophenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 11837524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).