(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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide

C112H108F21N19O15S10 — CID 159537105

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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=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]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)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)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2CC(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/2C24H22F5N3O3S2.C22H22F3N3O3S2.2C21H21F4N5O3S2/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;23-22(24,25)10-8-16(15-4-2-1-3-5-15)12-17-9-11-31-20-13-18(6-7-19(17)20)33(29,30)28-21-26-14-27-32-21;2*22-14-10-13-16(30-6-2-12(21(23,24)25)9-17(30)15-1-4-27-28-15)3-7-33-18(13)11-19(14)35(31,32)29-20-26-5-8-34-20/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-7,13-14,16-17H,8-12H2,(H,26,27,28);2*1,4-5,8,10-12,16-17H,2-3,6-7,9H2,(H,26,29)(H,27,28)/t2*15-,19+,20+;16?,17-;12-,16+,17+;12-,16-,17+/m10111/s1
InChIKeyMDSQZTQKDIECRO-RQBAUUOSSA-N
MW2679.84 g/mol
LogP27.13
Rot. Bonds28

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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide

(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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 159537105) has the molecular formula C112H108F21N19O15S10 and a molecular weight of 2679.84 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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide.

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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID159537105
Molecular FormulaC112H108F21N19O15S10
Molecular Weight2679.84 g/mol
Exact Mass2677.51
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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=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]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)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)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2CC(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/2C24H22F5N3O3S2.C22H22F3N3O3S2.2C21H21F4N5O3S2/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;23-22(24,25)10-8-16(15-4-2-1-3-5-15)12-17-9-11-31-20-13-18(6-7-19(17)20)33(29,30)28-21-26-14-27-32-21;2*22-14-10-13-16(30-6-2-12(21(23,24)25)9-17(30)15-1-4-27-28-15)3-7-33-18(13)11-19(14)35(31,32)29-20-26-5-8-34-20/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-7,13-14,16-17H,8-12H2,(H,26,27,28);2*1,4-5,8,10-12,16-17H,2-3,6-7,9H2,(H,26,29)(H,27,28)/t2*15-,19+,20+;16?,17-;12-,16+,17+;12-,16-,17+/m10111/s1
InChIKeyMDSQZTQKDIECRO-RQBAUUOSSA-N
XLogP27.13
TPSA424.66 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002679.84
LogP ≤ 527.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284141
6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284146
(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284199
(4S)-6-fluoro-4-[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284212
6-fluoro-4-[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284213
(4R)-6-fluoro-4-[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135284325
(4R)-6-fluoro-4-[(2R,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 140925113
(4R)-6-fluoro-4-[(4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 145285106
(4R)-6-fluoro-4-[[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]methyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 145285660
(4S)-6-fluoro-4-[(2R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155148190
(4R)-6-fluoro-4-[(2S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155148265
(4R)-6-fluoro-4-[(2R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155148269

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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide?
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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 159537105) 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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide.
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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide?
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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide is 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]1c1ccn[nH]1)CCO2.O=S(=O)(Nc1nccs1)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)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2CC(CCC(F)(F)F)c1ccccc1.
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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is MDSQZTQKDIECRO-RQBAUUOSSA-N. The full InChI is InChI=1S/2C24H22F5N3O3S2.C22H22F3N3O3S2.2C21H21F4N5O3S2/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;23-22(24,25)10-8-16(15-4-2-1-3-5-15)12-17-9-11-31-20-13-18(6-7-19(17)20)33(29,30)28-21-26-14-27-32-21;2*22-14-10-13-16(30-6-2-12(21(23,24)25)9-17(30)15-1-4-27-28-15)3-7-33-18(13)11-19(14)35(31,32)29-20-26-5-8-34-20/h2*1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31);1-7,13-14,16-17H,8-12H2,(H,26,27,28);2*1,4-5,8,10-12,16-17H,2-3,6-7,9H2,(H,26,29)(H,27,28)/t2*15-,19+,20+;16?,17-;12-,16+,17+;12-,16-,17+/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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2679.84 g/mol, XLogP of 27.13, 28 rotatable bonds, 7 hydrogen bond donors, and 32 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;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-N-(1,2,4-thiadiazol-5-yl)-4-(5,5,5-trifluoro-2-phenylpentyl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 159537105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).