5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C130H132F10N22O18S12 — CID 157131128

About 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 157131128) has the molecular formula C130H132F10N22O18S12 and a molecular weight of 2865.41 g/mol. Its IUPAC name is 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 157131128
• Molecular Formula: C130H132F10N22O18S12
• Molecular Weight: 2865.41 g/mol
• Exact Mass: 2862.66
• IUPAC Name: 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@H]2c2ccccc2)cc1F.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC[C@H]1c1ccccc1
• InChI: InChI=1S/2C22H20F5N3O3S2.2C22H24N4O3S2.2C21H22N4O3S2/c2*23-17-10-20(35(31,32)12-21-28-13-29-34-21)18(24)8-15(17)11-30-7-6-16(33-22(25,26)27)9-19(30)14-4-2-1-3-5-14;2*27-31(28,25-22-23-15-24-30-22)17-9-10-18-20(11-13-29-21(18)14-17)26-12-5-4-8-19(26)16-6-2-1-3-7-16;2*26-30(27,24-21-22-14-23-29-21)16-8-9-17-19(10-12-28-20(17)13-16)25-11-4-7-18(25)15-5-2-1-3-6-15/h2*1-5,8,10,13,16,19H,6-7,9,11-12H2;2*1-3,6-7,9-10,14-15,19-20H,4-5,8,11-13H2,(H,23,24,25);2*1-3,5-6,8-9,13-14,18-19H,4,7,10-12H2,(H,22,23,24)/t16-,19+;16-,19-;19-,20+;19-,20-;18-,19+;18-,19-/m000000/s1
• InChIKey: AJBXKPSZMIXJFL-CYLGIRNWSA-N
• XLogP: 26.84
• TPSA: 482.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.41
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 157131128) is 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@H]2c2ccccc2)cc1F.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCCC[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC[C@H]1c1ccccc1.

What is the InChIKey of 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is AJBXKPSZMIXJFL-CYLGIRNWSA-N. The full InChI is InChI=1S/2C22H20F5N3O3S2.2C22H24N4O3S2.2C21H22N4O3S2/c2*23-17-10-20(35(31,32)12-21-28-13-29-34-21)18(24)8-15(17)11-30-7-6-16(33-22(25,26)27)9-19(30)14-4-2-1-3-5-14;2*27-31(28,25-22-23-15-24-30-22)17-9-10-18-20(11-13-29-21(18)14-17)26-12-5-4-8-19(26)16-6-2-1-3-7-16;2*26-30(27,24-21-22-14-23-29-21)16-8-9-17-19(10-12-28-20(17)13-16)25-11-4-7-18(25)15-5-2-1-3-6-15/h2*1-5,8,10,13,16,19H,6-7,9,11-12H2;2*1-3,6-7,9-10,14-15,19-20H,4-5,8,11-13H2,(H,23,24,25);2*1-3,5-6,8-9,13-14,18-19H,4,7,10-12H2,(H,22,23,24)/t16-,19+;16-,19-;19-,20+;19-,20-;18-,19+;18-,19-/m000000/s1.

What are the key properties of 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?

5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2865.41 g/mol, XLogP of 26.84, 34 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 157131128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).