(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C138H140F10N26O18S12 — CID 160897007

IUPAC(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C26H24N4O3S2.2C23H24F3N5O3S2.C22H22F2N4O3S2.2C22H23FN4O3S2/c31-35(32,29-26-27-17-28-34-26)20-10-11-22-23(13-15-33-24(22)16-20)30-14-12-18-6-4-5-9-21(18)25(30)19-7-2-1-3-8-19;2*24-23(25,26)14-30-9-10-31(20(13-30)16-4-2-1-3-5-16)19-8-11-34-21-12-17(6-7-18(19)21)36(32,33)29-22-27-15-28-35-22;23-15-6-4-14(5-7-15)18-3-1-2-9-28(18)19-8-10-31-20-12-21(17(24)11-16(19)20)33(29,30)27-22-25-13-26-32-22;2*23-17-12-16-19(27-10-5-4-8-18(27)15-6-2-1-3-7-15)9-11-30-20(16)13-21(17)32(28,29)26-22-24-14-25-31-22/h1-11,16-17,23,25H,12-15H2,(H,27,28,29);2*1-7,12,15,19-20H,8-11,13-14H2,(H,27,28,29);4-7,11-13,18-19H,1-3,8-10H2,(H,25,26,27);2*1-3,6-7,12-14,18-19H,4-5,8-11H2,(H,24,25,26)/t23-,25-;19-,20+;19-,20-;2*18-,19+;18-,19-/m110100/s1
InChIKeySOZWYODCAQZSFO-ITSOHGAOSA-N
MW3025.59 g/mol
LogP26.70
Rot. Bonds32

About (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 160897007) has the molecular formula C138H140F10N26O18S12 and a molecular weight of 3025.59 g/mol. Its IUPAC name is (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID160897007
Molecular FormulaC138H140F10N26O18S12
Molecular Weight3025.59 g/mol
Exact Mass3022.73
IUPAC Name(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCc2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C26H24N4O3S2.2C23H24F3N5O3S2.C22H22F2N4O3S2.2C22H23FN4O3S2/c31-35(32,29-26-27-17-28-34-26)20-10-11-22-23(13-15-33-24(22)16-20)30-14-12-18-6-4-5-9-21(18)25(30)19-7-2-1-3-8-19;2*24-23(25,26)14-30-9-10-31(20(13-30)16-4-2-1-3-5-16)19-8-11-34-21-12-17(6-7-18(19)21)36(32,33)29-22-27-15-28-35-22;23-15-6-4-14(5-7-15)18-3-1-2-9-28(18)19-8-10-31-20-12-21(17(24)11-16(19)20)33(29,30)27-22-25-13-26-32-22;2*23-17-12-16-19(27-10-5-4-8-18(27)15-6-2-1-3-7-15)9-11-30-20(16)13-21(17)32(28,29)26-22-24-14-25-31-22/h1-11,16-17,23,25H,12-15H2,(H,27,28,29);2*1-7,12,15,19-20H,8-11,13-14H2,(H,27,28,29);4-7,11-13,18-19H,1-3,8-10H2,(H,25,26,27);2*1-3,6-7,12-14,18-19H,4-5,8-11H2,(H,24,25,26)/t23-,25-;19-,20+;19-,20-;2*18-,19+;18-,19-/m110100/s1
InChIKeySOZWYODCAQZSFO-ITSOHGAOSA-N
XLogP26.70
TPSA513.00 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003025.59
LogP ≤ 526.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide with MolForge

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Related Compounds

tert-butyl 3-(4-fluorophenyl)-4-[(4R)-7-(1,2,4-thiadiazol-5-ylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxylate
CID 145285420
6-fluoro-4-[2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135352252
(4S)-4-[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(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 158174898
(4R)-4-[(2S,4R)-2-(4-fluorophenyl)-4-[(methylideneamino)methyl]piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 145285571
(4S)-6-fluoro-4-[(2S,4R)-2-(4-fluorophenyl)-4-methylsulfonylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 161062342
(4S)-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-[(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-[(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;(4R)-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
CID 162055912
(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135352203
(4R)-4-[(4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 163982481
4-[(2R,4S)-4-cyano-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284066
(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-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)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 159314124
4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284323
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

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 160897007) is (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@@H]1c1ccc(F)cc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1cc2c(cc1F)[C@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCN(CC(F)(F)F)C[C@H]1c1ccccc1.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2N1CCc2ccccc2[C@H]1c1ccccc1.
What is the InChIKey of (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is SOZWYODCAQZSFO-ITSOHGAOSA-N. The full InChI is InChI=1S/C26H24N4O3S2.2C23H24F3N5O3S2.C22H22F2N4O3S2.2C22H23FN4O3S2/c31-35(32,29-26-27-17-28-34-26)20-10-11-22-23(13-15-33-24(22)16-20)30-14-12-18-6-4-5-9-21(18)25(30)19-7-2-1-3-8-19;2*24-23(25,26)14-30-9-10-31(20(13-30)16-4-2-1-3-5-16)19-8-11-34-21-12-17(6-7-18(19)21)36(32,33)29-22-27-15-28-35-22;23-15-6-4-14(5-7-15)18-3-1-2-9-28(18)19-8-10-31-20-12-21(17(24)11-16(19)20)33(29,30)27-22-25-13-26-32-22;2*23-17-12-16-19(27-10-5-4-8-18(27)15-6-2-1-3-7-15)9-11-30-20(16)13-21(17)32(28,29)26-22-24-14-25-31-22/h1-11,16-17,23,25H,12-15H2,(H,27,28,29);2*1-7,12,15,19-20H,8-11,13-14H2,(H,27,28,29);4-7,11-13,18-19H,1-3,8-10H2,(H,25,26,27);2*1-3,6-7,12-14,18-19H,4-5,8-11H2,(H,24,25,26)/t23-,25-;19-,20+;19-,20-;2*18-,19+;18-,19-/m110100/s1.
What are the key properties of (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 3025.59 g/mol, XLogP of 26.70, 32 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-4-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2R)-2-phenyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 160897007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).