3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C124H129Cl2F4N25O17S11 — CID 159295606

About 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 159295606) has the molecular formula C124H129Cl2F4N25O17S11 and a molecular weight of 2741.19 g/mol. Its IUPAC name is 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 159295606
• Molecular Formula: C124H129Cl2F4N25O17S11
• Molecular Weight: 2741.19 g/mol
• Exact Mass: 2737.62
• IUPAC Name: 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: O=S(=O)(Nc1cccc(F)n1)c1ccc(CN2CCCC[C@H]2c2ccccc2)c(Cl)c1.O=S(=O)(Nc1ncns1)c1cc(Cl)c(CN2CCCC[C@H]2c2cccnc2)cc1F.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCC2N1CCOC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCC[C@H]1c1ccc(F)cc1.[C-]#[N+]C1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)CC1
• InChI: InChI=1S/C23H23ClFN3O2S.2C22H23FN4O3S2.C21H22N4O4S2.C19H19ClFN5O2S2.C17H19N5O3S2/c24-20-15-19(31(29,30)27-23-11-6-10-22(25)26-23)13-12-18(20)16-28-14-5-4-9-21(28)17-7-2-1-3-8-17;2*23-16-6-4-15(5-7-16)19-3-1-2-11-27(19)20-10-12-30-21-13-17(8-9-18(20)21)32(28,29)26-22-24-14-25-31-22;26-31(27,24-21-22-14-23-30-21)16-6-7-17-18(8-10-29-20(17)12-16)25-9-11-28-13-19(25)15-4-2-1-3-5-15;20-15-9-18(30(27,28)25-19-23-12-24-29-19)16(21)8-14(15)11-26-7-2-1-5-17(26)13-4-3-6-22-10-13;1-18-12-4-7-22(8-5-12)15-6-9-25-16-10-13(2-3-14(15)16)27(23,24)21-17-19-11-20-26-17/h1-3,6-8,10-13,15,21H,4-5,9,14,16H2,(H,26,27);2*4-9,13-14,19-20H,1-3,10-12H2,(H,24,25,26);1-7,12,14,18-19H,8-11,13H2,(H,22,23,24);3-4,6,8-10,12,17H,1-2,5,7,11H2,(H,23,24,25);2-3,10-12,15H,4-9H2,(H,19,20,21)/t21-;19-,20+;19-,20-;18?,19-;17-;15-/m000000/s1
• InChIKey: LARFXTJSTJWMFX-QVWRVVKCSA-N
• XLogP: 24.50
• TPSA: 501.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.19
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 159295606) is 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1cccc(F)n1)c1ccc(CN2CCCC[C@H]2c2ccccc2)c(Cl)c1.O=S(=O)(Nc1ncns1)c1cc(Cl)c(CN2CCCC[C@H]2c2cccnc2)cc1F.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCC2N1CCOC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCC[C@H]1c1ccc(F)cc1.[C-]#[N+]C1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)CC1.

What is the InChIKey of 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is LARFXTJSTJWMFX-QVWRVVKCSA-N. The full InChI is InChI=1S/C23H23ClFN3O2S.2C22H23FN4O3S2.C21H22N4O4S2.C19H19ClFN5O2S2.C17H19N5O3S2/c24-20-15-19(31(29,30)27-23-11-6-10-22(25)26-23)13-12-18(20)16-28-14-5-4-9-21(28)17-7-2-1-3-8-17;2*23-16-6-4-15(5-7-16)19-3-1-2-11-27(19)20-10-12-30-21-13-17(8-9-18(20)21)32(28,29)26-22-24-14-25-31-22;26-31(27,24-21-22-14-23-30-21)16-6-7-17-18(8-10-29-20(17)12-16)25-9-11-28-13-19(25)15-4-2-1-3-5-15;20-15-9-18(30(27,28)25-19-23-12-24-29-19)16(21)8-14(15)11-26-7-2-1-5-17(26)13-4-3-6-22-10-13;1-18-12-4-7-22(8-5-12)15-6-9-25-16-10-13(2-3-14(15)16)27(23,24)21-17-19-11-20-26-17/h1-3,6-8,10-13,15,21H,4-5,9,14,16H2,(H,26,27);2*4-9,13-14,19-20H,1-3,10-12H2,(H,24,25,26);1-7,12,14,18-19H,8-11,13H2,(H,22,23,24);3-4,6,8-10,12,17H,1-2,5,7,11H2,(H,23,24,25);2-3,10-12,15H,4-9H2,(H,19,20,21)/t21-;19-,20+;19-,20-;18?,19-;17-;15-/m000000/s1.

What are the key properties of 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2741.19 g/mol, XLogP of 24.50, 31 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(6-fluoro-2-pyridinyl)-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]benzenesulfonamide;5-chloro-2-fluoro-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;(4S)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-(4-isocyanopiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;4-[(3R)-3-phenylmorpholin-4-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 159295606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).