5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide

C132H130F4N30O12S10 — CID 158445454

About 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide

5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide (PubChem CID 158445454) has the molecular formula C132H130F4N30O12S10 and a molecular weight of 2725.35 g/mol. Its IUPAC name is 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide
• PubChem CID: 158445454
• Molecular Formula: C132H130F4N30O12S10
• Molecular Weight: 2725.35 g/mol
• Exact Mass: 2722.76
• IUPAC Name: 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide
• SMILES: C[C@@H]1CCN(Cc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)[C@H](c2ccccc2)C1.Cc1cccc(NS(=O)(=O)c2ccc(CN3CCCC[C@@H]3c3ccccc3)c(C#N)c2)n1.N#Cc1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1CN1CCCC[C@H]1c1ccccc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCCC1c1ccccc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCCC1c1ccncc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCC[C@H]1c1ccncc1
• InChI: InChI=1S/C25H26N4O2S.C24H23FN4O2S.C22H23N5O2S2.C21H20FN5O2S2.2C20H19FN6O2S2/c1-19-8-7-12-25(27-19)28-32(30,31)23-14-13-21(22(16-23)17-26)18-29-15-6-5-11-24(29)20-9-3-2-4-10-20;25-23-10-6-11-24(27-23)28-32(30,31)21-13-12-19(20(15-21)16-26)17-29-14-5-4-9-22(29)18-7-2-1-3-8-18;1-16-9-10-27(21(11-16)17-5-3-2-4-6-17)14-18-7-8-20(12-19(18)13-23)31(28,29)26-22-24-15-25-30-22;22-18-10-17(13-27-9-5-4-8-19(27)15-6-2-1-3-7-15)16(12-23)11-20(18)31(28,29)26-21-24-14-25-30-21;2*21-17-9-16(12-27-8-2-1-3-18(27)14-4-6-23-7-5-14)15(11-22)10-19(17)31(28,29)26-20-24-13-25-30-20/h2-4,7-10,12-14,16,24H,5-6,11,15,18H2,1H3,(H,27,28);1-3,6-8,10-13,15,22H,4-5,9,14,17H2,(H,27,28);2-8,12,15-16,21H,9-11,14H2,1H3,(H,24,25,26);1-3,6-7,10-11,14,19H,4-5,8-9,13H2,(H,24,25,26);2*4-7,9-10,13,18H,1-3,8,12H2,(H,24,25,26)/t24-;22-;16-,21+;;18-;/m101.0./s1
• InChIKey: HDIJVRMKLCGKEH-SKDORPTHSA-N
• XLogP: 24.61
• TPSA: 593.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2725.35
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide?

The IUPAC name of 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide (CID 158445454) is 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide?

The canonical SMILES for 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide is C[C@@H]1CCN(Cc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)[C@H](c2ccccc2)C1.Cc1cccc(NS(=O)(=O)c2ccc(CN3CCCC[C@@H]3c3ccccc3)c(C#N)c2)n1.N#Cc1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1CN1CCCC[C@H]1c1ccccc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCCC1c1ccccc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCCC1c1ccncc1.N#Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1CN1CCCC[C@H]1c1ccncc1.

What is the InChIKey of 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide?

The InChIKey is HDIJVRMKLCGKEH-SKDORPTHSA-N. The full InChI is InChI=1S/C25H26N4O2S.C24H23FN4O2S.C22H23N5O2S2.C21H20FN5O2S2.2C20H19FN6O2S2/c1-19-8-7-12-25(27-19)28-32(30,31)23-14-13-21(22(16-23)17-26)18-29-15-6-5-11-24(29)20-9-3-2-4-10-20;25-23-10-6-11-24(27-23)28-32(30,31)21-13-12-19(20(15-21)16-26)17-29-14-5-4-9-22(29)18-7-2-1-3-8-18;1-16-9-10-27(21(11-16)17-5-3-2-4-6-17)14-18-7-8-20(12-19(18)13-23)31(28,29)26-22-24-15-25-30-22;22-18-10-17(13-27-9-5-4-8-19(27)15-6-2-1-3-7-15)16(12-23)11-20(18)31(28,29)26-21-24-14-25-30-21;2*21-17-9-16(12-27-8-2-1-3-18(27)14-4-6-23-7-5-14)15(11-22)10-19(17)31(28,29)26-20-24-13-25-30-20/h2-4,7-10,12-14,16,24H,5-6,11,15,18H2,1H3,(H,27,28);1-3,6-8,10-13,15,22H,4-5,9,14,17H2,(H,27,28);2-8,12,15-16,21H,9-11,14H2,1H3,(H,24,25,26);1-3,6-7,10-11,14,19H,4-5,8-9,13H2,(H,24,25,26);2*4-7,9-10,13,18H,1-3,8,12H2,(H,24,25,26)/t24-;22-;16-,21+;;18-;/m101.0./s1.

What are the key properties of 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide?

5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide has a molecular weight of 2725.35 g/mol, XLogP of 24.61, 36 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-2-fluoro-4-[(2-phenylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-cyano-2-fluoro-4-[[(2S)-2-pyridin-4-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;5-cyano-2-fluoro-4-[(2-pyridin-4-ylpiperidin-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-4-[[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;3-cyano-N-(6-methyl-2-pyridinyl)-4-[[(2R)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 158445454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).