1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride

C134H145F3N28O23S5 — CID 157379017

About 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride

1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride (PubChem CID 157379017) has the molecular formula C134H145F3N28O23S5 and a molecular weight of 2733.14 g/mol. Its IUPAC name is 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride.

Molecular Properties

• Compound Name: 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride
• PubChem CID: 157379017
• Molecular Formula: C134H145F3N28O23S5
• Molecular Weight: 2733.14 g/mol
• Exact Mass: 2730.96
• IUPAC Name: 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride
• SMILES: CNC(=O)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.CNC(=O)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.F.F.O=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.OOC#CF
• InChI: InChI=1S/C24H27N5O3S.C24H26N4O2.C22H23N5O4S.C21H23N5O4S.C21H22N4O4S.C20H21N5O4S.C2HFO2.2FH/c1-25-23(30)20-16-26-24(27-17-20)28-21-8-5-14-29(15-13-21)33(31,32)22-11-9-19(10-12-22)18-6-3-2-4-7-18;1-25-23(29)20-10-11-22(26-16-20)27-21-7-4-13-28(14-12-21)24(30)19-9-8-17-5-2-3-6-18(17)15-19;28-21(26-29)18-14-23-22(24-15-18)25-19-10-12-27(13-11-19)32(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19;26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18;3-1-2-5-4;;/h2-4,6-7,9-12,16-17,21H,5,8,13-15H2,1H3,(H,25,30)(H,26,27,28);2-3,5-6,8-11,15-16,21H,4,7,12-14H2,1H3,(H,25,29)(H,26,27);1-9,14-15,19,29H,10-13H2,(H,26,28)(H,23,24,25);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26);1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23);4H;2*1H
• InChIKey: BKQRUSHCHUEUPC-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 693.27 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.14
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride?

The IUPAC name of 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride (CID 157379017) is 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride.

What is the SMILES notation for 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride?

The canonical SMILES for 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride is CNC(=O)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.CNC(=O)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.F.F.O=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.OOC#CF.

What is the InChIKey of 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride?

The InChIKey is BKQRUSHCHUEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S.C24H26N4O2.C22H23N5O4S.C21H23N5O4S.C21H22N4O4S.C20H21N5O4S.C2HFO2.2FH/c1-25-23(30)20-16-26-24(27-17-20)28-21-8-5-14-29(15-13-21)33(31,32)22-11-9-19(10-12-22)18-6-3-2-4-7-18;1-25-23(29)20-10-11-22(26-16-20)27-21-7-4-13-28(14-12-21)24(30)19-9-8-17-5-2-3-6-18(17)15-19;28-21(26-29)18-14-23-22(24-15-18)25-19-10-12-27(13-11-19)32(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19;26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18;3-1-2-5-4;;/h2-4,6-7,9-12,16-17,21H,5,8,13-15H2,1H3,(H,25,30)(H,26,27,28);2-3,5-6,8-11,15-16,21H,4,7,12-14H2,1H3,(H,25,29)(H,26,27);1-9,14-15,19,29H,10-13H2,(H,26,28)(H,23,24,25);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26);1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23);4H;2*1H.

What are the key properties of 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride?

1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride has a molecular weight of 2733.14 g/mol, XLogP of 17.09, 31 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-2-hydroperoxyethyne;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide;N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-methyl-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;dihydrofluoride is sourced from PubChem (CID 157379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).