dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate

C47H37Br2F2IK2N2O13S2 — CID 161477395

About dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate

dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate (PubChem CID 161477395) has the molecular formula C47H37Br2F2IK2N2O13S2 and a molecular weight of 1304.85 g/mol. Its IUPAC name is dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate.

Molecular Properties

• Compound Name: dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate
• PubChem CID: 161477395
• Molecular Formula: C47H37Br2F2IK2N2O13S2
• Molecular Weight: 1304.85 g/mol
• Exact Mass: 1301.84
• IUPAC Name: dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate
• SMILES: CI.COC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(=O)(=O)c3ccccc3)c(Br)cc12.COC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(=O)(=O)c3ccccc3)c(Br)cc12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H17BrFNO5S.C22H15BrFNO5S.CH3I.CH2O3.2K.H/c1-26(32(28,29)16-6-4-3-5-7-16)19-13-20-17(12-18(19)24)21(23(27)30-2)22(31-20)14-8-10-15(25)11-9-14;1-29-22(26)20-16-11-17(23)18(25-31(27,28)15-5-3-2-4-6-15)12-19(16)30-21(20)13-7-9-14(24)10-8-13;1-2;2-1-4-3;;;/h3-13H,1-2H3;2-12,25H,1H3;1H3;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: VIXXBLXVFSXLGF-UHFFFAOYSA-M
• XLogP: 4.81
• TPSA: 211.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1304.85
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate?

The IUPAC name of dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate (CID 161477395) is dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate.

What is the SMILES notation for dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate?

The canonical SMILES for dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate is CI.COC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(=O)(=O)c3ccccc3)c(Br)cc12.COC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(=O)(=O)c3ccccc3)c(Br)cc12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate?

The InChIKey is VIXXBLXVFSXLGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17BrFNO5S.C22H15BrFNO5S.CH3I.CH2O3.2K.H/c1-26(32(28,29)16-6-4-3-5-7-16)19-13-20-17(12-18(19)24)21(23(27)30-2)22(31-20)14-8-10-15(25)11-9-14;1-29-22(26)20-16-11-17(23)18(25-31(27,28)15-5-3-2-4-6-15)12-19(16)30-21(20)13-7-9-14(24)10-8-13;1-2;2-1-4-3;;;/h3-13H,1-2H3;2-12,25H,1H3;1H3;1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate?

dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate has a molecular weight of 1304.85 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;hydride;iodomethane;methyl 6-(benzenesulfonamido)-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;methyl 6-[benzenesulfonyl(methyl)amino]-5-bromo-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate;oxido formate is sourced from PubChem (CID 161477395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).