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

C133H141F9N26O19S12 — CID 158790842

IUPAC(4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCC(C)(O)[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccc(F)cc2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@H]1c1ccccc1
InChIInChI=1S/C25H29FN4O4S2.4C22H22F2N4O3S2.C20H24N6O3S2/c1-25(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;4*23-22(24)9-10-28(19(13-22)15-4-2-1-3-5-15)18-8-11-31-20-12-16(6-7-17(18)20)33(29,30)27-21-25-14-26-32-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20/h3-8,14-15,17,21-22,31H,9-13H2,1-2H3,(H,27,28,29);4*1-7,12,14,18-19H,8-11,13H2,(H,25,26,27);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25)/t17-,21+,22+;2*18-,19+;2*18-,19-;13-,17+,18+/m110101/s1
InChIKeyISGHHJCRPXSDAA-VGIDSKJDSA-N
MW2963.54 g/mol
LogP26.42
Rot. Bonds31

About (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 158790842) has the molecular formula C133H141F9N26O19S12 and a molecular weight of 2963.54 g/mol. Its IUPAC name is (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID158790842
Molecular FormulaC133H141F9N26O19S12
Molecular Weight2963.54 g/mol
Exact Mass2960.74
IUPAC Name(4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCC(C)(O)[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccc(F)cc2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@H]1c1ccccc1
InChIInChI=1S/C25H29FN4O4S2.4C22H22F2N4O3S2.C20H24N6O3S2/c1-25(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;4*23-22(24)9-10-28(19(13-22)15-4-2-1-3-5-15)18-8-11-31-20-12-16(6-7-17(18)20)33(29,30)27-21-25-14-26-32-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20/h3-8,14-15,17,21-22,31H,9-13H2,1-2H3,(H,27,28,29);4*1-7,12,14,18-19H,8-11,13H2,(H,25,26,27);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25)/t17-,21+,22+;2*18-,19+;2*18-,19-;13-,17+,18+/m110101/s1
InChIKeyISGHHJCRPXSDAA-VGIDSKJDSA-N
XLogP26.42
TPSA555.43 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.54
LogP ≤ 526.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 158790842) is (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCC(F)(F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCC(F)(F)C[C@H]1c1ccccc1.
What is the InChIKey of (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is ISGHHJCRPXSDAA-VGIDSKJDSA-N. The full InChI is InChI=1S/C25H29FN4O4S2.4C22H22F2N4O3S2.C20H24N6O3S2/c1-25(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;4*23-22(24)9-10-28(19(13-22)15-4-2-1-3-5-15)18-8-11-31-20-12-16(6-7-17(18)20)33(29,30)27-21-25-14-26-32-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20/h3-8,14-15,17,21-22,31H,9-13H2,1-2H3,(H,27,28,29);4*1-7,12,14,18-19H,8-11,13H2,(H,25,26,27);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25)/t17-,21+,22+;2*18-,19+;2*18-,19-;13-,17+,18+/m110101/s1.
What are the key properties of (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-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-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2963.54 g/mol, XLogP of 26.42, 31 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-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,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 158790842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).