4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide

C103H90Br5N27O11S5 — CID 158887822

About 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide

4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 158887822) has the molecular formula C103H90Br5N27O11S5 and a molecular weight of 2441.89 g/mol. Its IUPAC name is 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide
• PubChem CID: 158887822
• Molecular Formula: C103H90Br5N27O11S5
• Molecular Weight: 2441.89 g/mol
• Exact Mass: 2435.18
• IUPAC Name: 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide
• SMILES: CN(C)CCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.COCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(Nc1ccncc1)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/C23H17BrN6O2S.C22H23BrN6O2S.C21H20BrN5O3S.C19H16BrN5O2S.C18H14BrN5O2S/c24-20-15-26-30-22(14-21(28-23(20)30)16-4-2-1-3-5-16)27-17-6-8-19(9-7-17)33(31,32)29-18-10-12-25-13-11-18;1-28(2)13-12-25-32(30,31)18-10-8-17(9-11-18)26-21-14-20(16-6-4-3-5-7-16)27-22-19(23)15-24-29(21)22;1-30-12-11-24-31(28,29)17-9-7-16(8-10-17)25-20-13-19(15-5-3-2-4-6-15)26-21-18(22)14-23-27(20)21;1-21-28(26,27)15-9-7-14(8-10-15)23-18-11-17(13-5-3-2-4-6-13)24-19-16(20)12-22-25(18)19;19-15-11-21-24-17(22-13-6-8-14(9-7-13)27(20,25)26)10-16(23-18(15)24)12-4-2-1-3-5-12/h1-15,27H,(H,25,29);3-11,14-15,25-26H,12-13H2,1-2H3;2-10,13-14,24-25H,11-12H2,1H3;2-12,21,23H,1H3;1-11,22H,(H2,20,25,26)
• InChIKey: JDVUDZYXJPCLBI-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 481.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.89
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide?

The IUPAC name of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide (CID 158887822) is 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide.

What is the SMILES notation for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide?

The canonical SMILES for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.COCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(Nc1ccncc1)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.

What is the InChIKey of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide?

The InChIKey is JDVUDZYXJPCLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN6O2S.C22H23BrN6O2S.C21H20BrN5O3S.C19H16BrN5O2S.C18H14BrN5O2S/c24-20-15-26-30-22(14-21(28-23(20)30)16-4-2-1-3-5-16)27-17-6-8-19(9-7-17)33(31,32)29-18-10-12-25-13-11-18;1-28(2)13-12-25-32(30,31)18-10-8-17(9-11-18)26-21-14-20(16-6-4-3-5-7-16)27-22-19(23)15-24-29(21)22;1-30-12-11-24-31(28,29)17-9-7-16(8-10-17)25-20-13-19(15-5-3-2-4-6-15)26-21-18(22)14-23-27(20)21;1-21-28(26,27)15-9-7-14(8-10-15)23-18-11-17(13-5-3-2-4-6-13)24-19-16(20)12-22-25(18)19;19-15-11-21-24-17(22-13-6-8-14(9-7-13)27(20,25)26)10-16(23-18(15)24)12-4-2-1-3-5-12/h1-15,27H,(H,25,29);3-11,14-15,25-26H,12-13H2,1-2H3;2-10,13-14,24-25H,11-12H2,1H3;2-12,21,23H,1H3;1-11,22H,(H2,20,25,26).

What are the key properties of 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide?

4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 2441.89 g/mol, XLogP of 20.03, 31 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 158887822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).