(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine

C116H112F22N18O15S10 — CID 160553453

IUPAC(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine
SMILESNc1cccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Cc4nccs4)c(F)cc32)n1.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2
InChIInChI=1S/2C24H22F5N3O3S2.C24H24F4N4O3S2.2C22H22F4N4O3S2/c2*25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-30-7-10-36-23;25-16-11-15-18(5-8-35-20(15)12-21(16)37(33,34)13-23-30-6-9-36-23)32-7-4-14(24(26,27)28)10-19(32)17-2-1-3-22(29)31-17;2*23-15-10-14-17(30-6-2-13(22(24,25)26)9-18(30)16-1-4-28-29-16)3-7-33-19(14)11-20(15)35(31,32)12-21-27-5-8-34-21/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-3,6,9,11-12,14,18-19H,4-5,7-8,10,13H2,(H2,29,31);2*1,4-5,8,10-11,13,17-18H,2-3,6-7,9,12H2,(H,28,29)/t2*15-,19+,20+;14-,18+,19+;13-,17+,18+;13-,17-,18+/m10111/s1
InChIKeyQYJICYOIMIJILE-VVULSXISSA-N
MW2736.91 g/mol
LogP26.83
Rot. Bonds25

About (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine

(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine (PubChem CID 160553453) has the molecular formula C116H112F22N18O15S10 and a molecular weight of 2736.91 g/mol. Its IUPAC name is (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine
PubChem CID160553453
Molecular FormulaC116H112F22N18O15S10
Molecular Weight2736.91 g/mol
Exact Mass2734.54
IUPAC Name(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine
SMILESNc1cccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Cc4nccs4)c(F)cc32)n1.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2
InChIInChI=1S/2C24H22F5N3O3S2.C24H24F4N4O3S2.2C22H22F4N4O3S2/c2*25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-30-7-10-36-23;25-16-11-15-18(5-8-35-20(15)12-21(16)37(33,34)13-23-30-6-9-36-23)32-7-4-14(24(26,27)28)10-19(32)17-2-1-3-22(29)31-17;2*23-15-10-14-17(30-6-2-13(22(24,25)26)9-18(30)16-1-4-28-29-16)3-7-33-19(14)11-20(15)35(31,32)12-21-27-5-8-34-21/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-3,6,9,11-12,14,18-19H,4-5,7-8,10,13H2,(H2,29,31);2*1,4-5,8,10-11,13,17-18H,2-3,6-7,9,12H2,(H,28,29)/t2*15-,19+,20+;14-,18+,19+;13-,17+,18+;13-,17-,18+/m10111/s1
InChIKeyQYJICYOIMIJILE-VVULSXISSA-N
XLogP26.83
TPSA417.83 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002736.91
LogP ≤ 526.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine?
The IUPAC name of (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine (CID 160553453) is (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine.
What is the SMILES notation for (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine?
The canonical SMILES for (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine is Nc1cccc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Cc4nccs4)c(F)cc32)n1.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Cc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2.
What is the InChIKey of (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine?
The InChIKey is QYJICYOIMIJILE-VVULSXISSA-N. The full InChI is InChI=1S/2C24H22F5N3O3S2.C24H24F4N4O3S2.2C22H22F4N4O3S2/c2*25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-30-7-10-36-23;25-16-11-15-18(5-8-35-20(15)12-21(16)37(33,34)13-23-30-6-9-36-23)32-7-4-14(24(26,27)28)10-19(32)17-2-1-3-22(29)31-17;2*23-15-10-14-17(30-6-2-13(22(24,25)26)9-18(30)16-1-4-28-29-16)3-7-33-19(14)11-20(15)35(31,32)12-21-27-5-8-34-21/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-3,6,9,11-12,14,18-19H,4-5,7-8,10,13H2,(H2,29,31);2*1,4-5,8,10-11,13,17-18H,2-3,6-7,9,12H2,(H,28,29)/t2*15-,19+,20+;14-,18+,19+;13-,17+,18+;13-,17-,18+/m10111/s1.
What are the key properties of (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine?
(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine has a molecular weight of 2736.91 g/mol, XLogP of 26.83, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;6-[(2S,4R)-1-[(4S)-6-fluoro-7-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-4-(trifluoromethyl)piperidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 160553453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).