4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen

C69H85Cl2N25O7S5 — CID 159286352

About 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen

4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen (PubChem CID 159286352) has the molecular formula C69H85Cl2N25O7S5 and a molecular weight of 1607.85 g/mol. Its IUPAC name is 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen
• PubChem CID: 159286352
• Molecular Formula: C69H85Cl2N25O7S5
• Molecular Weight: 1607.85 g/mol
• Exact Mass: 1605.50
• IUPAC Name: 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen
• SMILES: C#Cc1cnc(-c2ccc(C(=C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)NCCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.NS(=O)(=O)c1ccccc1Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H17N5S.C18H20ClN7O3S2.C16H15ClN6O2S.C16H17N7O2S.8H2/c1-4-12-10-20-19(16-8-7-15(25-16)11(2)3)22-18(12)21-17-9-14(23-24-17)13-5-6-13;1-10(27)20-6-7-22-31(28,29)16-5-4-14(30-16)18-21-9-12(19)17(24-18)23-15-8-13(25-26-15)11-2-3-11;17-12-8-19-15(10-3-5-11(6-4-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-1-2-9;17-26(24,25)13-4-2-1-3-11(13)19-16-18-8-7-14(21-16)20-15-9-12(22-23-15)10-5-6-10;;;;;;;;/h1,7-10,13H,2,5-6H2,3H3,(H2,20,21,22,23,24);4-5,8-9,11,22H,2-3,6-7H2,1H3,(H,20,27)(H2,21,23,24,25,26);3-9H,1-2H2,(H2,18,24,25)(H2,19,20,21,22,23);1-4,7-10H,5-6H2,(H2,17,24,25)(H3,18,19,20,21,22,23);8*1H
• InChIKey: KZOGNFKXRAZCGO-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 473.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1607.85
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen (CID 159286352) is 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(-c2ccc(C(=C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)NCCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1.NS(=O)(=O)c1ccccc1Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

The InChIKey is KZOGNFKXRAZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S.C18H20ClN7O3S2.C16H15ClN6O2S.C16H17N7O2S.8H2/c1-4-12-10-20-19(16-8-7-15(25-16)11(2)3)22-18(12)21-17-9-14(23-24-17)13-5-6-13;1-10(27)20-6-7-22-31(28,29)16-5-4-14(30-16)18-21-9-12(19)17(24-18)23-15-8-13(25-26-15)11-2-3-11;17-12-8-19-15(10-3-5-11(6-4-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-1-2-9;17-26(24,25)13-4-2-1-3-11(13)19-16-18-8-7-14(21-16)20-15-9-12(22-23-15)10-5-6-10;;;;;;;;/h1,7-10,13H,2,5-6H2,3H3,(H2,20,21,22,23,24);4-5,8-9,11,22H,2-3,6-7H2,1H3,(H,20,27)(H2,21,23,24,25,26);3-9H,1-2H2,(H2,18,24,25)(H2,19,20,21,22,23);1-4,7-10H,5-6H2,(H2,17,24,25)(H3,18,19,20,21,22,23);8*1H.

What are the key properties of 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen?

4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen has a molecular weight of 1607.85 g/mol, XLogP of 14.15, 25 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;N-[2-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(5-prop-1-en-2-ylthiophen-2-yl)pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159286352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).