(4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C116H121F11N20O17S10 — CID 157345065

About (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 157345065) has the molecular formula C116H121F11N20O17S10 and a molecular weight of 2597.01 g/mol. Its IUPAC name is (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 157345065
• Molecular Formula: C116H121F11N20O17S10
• Molecular Weight: 2597.01 g/mol
• Exact Mass: 2594.63
• IUPAC Name: (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: CC(C)(O)[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccc(F)cc2)C1.CC(C)(O)[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccc(F)cc2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@H]1c1ccc(F)cc1
• InChI: InChI=1S/2C25H29FN4O4S2.3C22H21F3N4O3S2/c2*1-25(2,31)17-9-11-30(22(13-17)16-3-5-18(26)6-4-16)21-10-12-34-23-14-19(7-8-20(21)23)36(32,33)29-24-27-15-28-35-24;3*23-15-3-1-14(2-4-15)19-12-22(24,25)8-9-29(19)18-7-10-32-20-11-16(5-6-17(18)20)34(30,31)28-21-26-13-27-33-21/h2*3-8,14-15,17,21-22,31H,9-13H2,1-2H3,(H,27,28,29);3*1-6,11,13,18-19H,7-10,12H2,(H,26,27,28)/t17-,21+,22+;17-,21-,22+;18-,19+;2*18-,19-/m00110/s1
• InChIKey: BGVZUAANTWYFQI-QXWGRPEBSA-N
• XLogP: 23.37
• TPSA: 462.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.01
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 157345065) is (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is CC(C)(O)[C@H]1CCN([C@@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccc(F)cc2)C1.CC(C)(O)[C@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@@H](c2ccc(F)cc2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@@H]1c1ccc(F)cc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@H]1c1ccc(F)cc1.

What is the InChIKey of (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is BGVZUAANTWYFQI-QXWGRPEBSA-N. The full InChI is InChI=1S/2C25H29FN4O4S2.3C22H21F3N4O3S2/c2*1-25(2,31)17-9-11-30(22(13-17)16-3-5-18(26)6-4-16)21-10-12-34-23-14-19(7-8-20(21)23)36(32,33)29-24-27-15-28-35-24;3*23-15-3-1-14(2-4-15)19-12-22(24,25)8-9-29(19)18-7-10-32-20-11-16(5-6-17(18)20)34(30,31)28-21-26-13-27-33-21/h2*3-8,14-15,17,21-22,31H,9-13H2,1-2H3,(H,27,28,29);3*1-6,11,13,18-19H,7-10,12H2,(H,26,27,28)/t17-,21+,22+;17-,21-,22+;18-,19+;2*18-,19-/m00110/s1.

What are the key properties of (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

(4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2597.01 g/mol, XLogP of 23.37, 27 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4S)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 157345065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).