[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate

C102H85Cl6F2N9O30S6 — CID 159989798

About [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate

[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate (PubChem CID 159989798) has the molecular formula C102H85Cl6F2N9O30S6 and a molecular weight of 2359.95 g/mol. Its IUPAC name is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate.

Molecular Properties

• Compound Name: [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate
• PubChem CID: 159989798
• Molecular Formula: C102H85Cl6F2N9O30S6
• Molecular Weight: 2359.95 g/mol
• Exact Mass: 2355.18
• IUPAC Name: [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate
• SMILES: Cc1ccc(CS(=O)(=O)OC2=C(N)OC(c3ccc(Cl)cc3)C2=O)cc1F.Cc1cccc(CS(=O)(=O)OC2=C(N)OC(c3ccc(Cl)cc3)C2=O)c1F.Cc1ccccc1CS(=O)(=O)OC1=C(N)OC(c2ccc(Cl)cc2)C1=O.NC1=C(OS(=O)(=O)Cc2ccccn2)C(=O)C(c2ccc(Cl)cc2)O1.NC1=C(OS(=O)(=O)Cc2cccnc2)C(=O)C(c2ccc(Cl)cc2)O1.NC1=C(OS(=O)(=O)Cc2ccncc2)C(=O)C(c2ccc(Cl)cc2)O1
• InChI: InChI=1S/2C18H15ClFNO5S.C18H16ClNO5S.3C16H13ClN2O5S/c1-10-2-3-11(8-14(10)20)9-27(23,24)26-17-15(22)16(25-18(17)21)12-4-6-13(19)7-5-12;1-10-3-2-4-12(14(10)20)9-27(23,24)26-17-15(22)16(25-18(17)21)11-5-7-13(19)8-6-11;1-11-4-2-3-5-13(11)10-26(22,23)25-17-15(21)16(24-18(17)20)12-6-8-14(19)9-7-12;17-12-3-1-11(2-4-12)14-13(20)15(16(18)23-14)24-25(21,22)9-10-5-7-19-8-6-10;17-12-5-3-11(4-6-12)14-13(20)15(16(18)23-14)24-25(21,22)9-10-2-1-7-19-8-10;17-11-6-4-10(5-7-11)14-13(20)15(16(18)23-14)24-25(21,22)9-12-3-1-2-8-19-12/h2*2-8,16H,9,21H2,1H3;2-9,16H,10,20H2,1H3;3*1-8,14H,9,18H2
• InChIKey: OGUPBSPBFVIXOM-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 612.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.95
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate?

The IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate (CID 159989798) is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate.

What is the SMILES notation for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate?

The canonical SMILES for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate is Cc1ccc(CS(=O)(=O)OC2=C(N)OC(c3ccc(Cl)cc3)C2=O)cc1F.Cc1cccc(CS(=O)(=O)OC2=C(N)OC(c3ccc(Cl)cc3)C2=O)c1F.Cc1ccccc1CS(=O)(=O)OC1=C(N)OC(c2ccc(Cl)cc2)C1=O.NC1=C(OS(=O)(=O)Cc2ccccn2)C(=O)C(c2ccc(Cl)cc2)O1.NC1=C(OS(=O)(=O)Cc2cccnc2)C(=O)C(c2ccc(Cl)cc2)O1.NC1=C(OS(=O)(=O)Cc2ccncc2)C(=O)C(c2ccc(Cl)cc2)O1.

What is the InChIKey of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate?

The InChIKey is OGUPBSPBFVIXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15ClFNO5S.C18H16ClNO5S.3C16H13ClN2O5S/c1-10-2-3-11(8-14(10)20)9-27(23,24)26-17-15(22)16(25-18(17)21)12-4-6-13(19)7-5-12;1-10-3-2-4-12(14(10)20)9-27(23,24)26-17-15(22)16(25-18(17)21)11-5-7-13(19)8-6-11;1-11-4-2-3-5-13(11)10-26(22,23)25-17-15(21)16(24-18(17)20)12-6-8-14(19)9-7-12;17-12-3-1-11(2-4-12)14-13(20)15(16(18)23-14)24-25(21,22)9-10-5-7-19-8-6-10;17-12-5-3-11(4-6-12)14-13(20)15(16(18)23-14)24-25(21,22)9-10-2-1-7-19-8-10;17-11-6-4-10(5-7-11)14-13(20)15(16(18)23-14)24-25(21,22)9-12-3-1-2-8-19-12/h2*2-8,16H,9,21H2,1H3;2-9,16H,10,20H2,1H3;3*1-8,14H,9,18H2.

What are the key properties of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate?

[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate has a molecular weight of 2359.95 g/mol, XLogP of 15.32, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-fluoro-3-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (3-fluoro-4-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] (2-methylphenyl)methanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-2-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-3-ylmethanesulfonate;[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] pyridin-4-ylmethanesulfonate is sourced from PubChem (CID 159989798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).