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

C111H107F23N22O15S10 — CID 158658970

IUPAC(4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1cc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)cn1.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2
InChIInChI=1S/2C24H21F6N3O3S2.2C21H21F4N5O3S2.C21H23F3N6O3S2/c2*25-16-2-1-13(9-17(16)26)20-10-14(24(28,29)30)3-6-33(20)19-4-7-36-21-12-22(18(27)11-15(19)21)38(34,35)32-23-31-5-8-37-23;2*22-15-8-14-16(30-4-1-13(21(23,24)25)7-17(30)12-10-27-28-11-12)2-5-33-18(14)9-19(15)35(31,32)29-20-26-3-6-34-20;1-29-11-13(10-26-29)18-8-14(21(22,23)24)4-6-30(18)17-5-7-33-19-9-15(2-3-16(17)19)35(31,32)28-20-25-12-27-34-20/h2*1-2,5,8-9,11-12,14,19-20H,3-4,6-7,10H2,(H,31,32);2*3,6,8-11,13,16-17H,1-2,4-5,7H2,(H,26,29)(H,27,28);2-3,9-12,14,17-18H,4-8H2,1H3,(H,25,27,28)/t14-,19+,20+;14-,19-,20+;13-,16+,17+;13-,16-,17+;14-,17+,18+/m11111/s1
InChIKeyICMWXBMRDUHQCD-SMGXBKHVSA-N
MW2746.84 g/mol
LogP25.60
Rot. Bonds25

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

(4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 158658970) has the molecular formula C111H107F23N22O15S10 and a molecular weight of 2746.84 g/mol. Its IUPAC name is (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID158658970
Molecular FormulaC111H107F23N22O15S10
Molecular Weight2746.84 g/mol
Exact Mass2744.51
IUPAC Name(4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1cc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)cn1.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2
InChIInChI=1S/2C24H21F6N3O3S2.2C21H21F4N5O3S2.C21H23F3N6O3S2/c2*25-16-2-1-13(9-17(16)26)20-10-14(24(28,29)30)3-6-33(20)19-4-7-36-21-12-22(18(27)11-15(19)21)38(34,35)32-23-31-5-8-37-23;2*22-15-8-14-16(30-4-1-13(21(23,24)25)7-17(30)12-10-27-28-11-12)2-5-33-18(14)9-19(15)35(31,32)29-20-26-3-6-34-20;1-29-11-13(10-26-29)18-8-14(21(22,23)24)4-6-30(18)17-5-7-33-19-9-15(2-3-16(17)19)35(31,32)28-20-25-12-27-34-20/h2*1-2,5,8-9,11-12,14,19-20H,3-4,6-7,10H2,(H,31,32);2*3,6,8-11,13,16-17H,1-2,4-5,7H2,(H,26,29)(H,27,28);2-3,9-12,14,17-18H,4-8H2,1H3,(H,25,27,28)/t14-,19+,20+;14-,19-,20+;13-,16+,17+;13-,16-,17+;14-,17+,18+/m11111/s1
InChIKeyICMWXBMRDUHQCD-SMGXBKHVSA-N
XLogP25.60
TPSA445.72 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.84
LogP ≤ 525.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)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,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 158658970) is (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)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,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is Cn1cc([C@@H]2C[C@H](C(F)(F)F)CCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)cn1.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccc(F)c(F)c1)CCO2.O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1)CCO2.
What is the InChIKey of (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is ICMWXBMRDUHQCD-SMGXBKHVSA-N. The full InChI is InChI=1S/2C24H21F6N3O3S2.2C21H21F4N5O3S2.C21H23F3N6O3S2/c2*25-16-2-1-13(9-17(16)26)20-10-14(24(28,29)30)3-6-33(20)19-4-7-36-21-12-22(18(27)11-15(19)21)38(34,35)32-23-31-5-8-37-23;2*22-15-8-14-16(30-4-1-13(21(23,24)25)7-17(30)12-10-27-28-11-12)2-5-33-18(14)9-19(15)35(31,32)29-20-26-3-6-34-20;1-29-11-13(10-26-29)18-8-14(21(22,23)24)4-6-30(18)17-5-7-33-19-9-15(2-3-16(17)19)35(31,32)28-20-25-12-27-34-20/h2*1-2,5,8-9,11-12,14,19-20H,3-4,6-7,10H2,(H,31,32);2*3,6,8-11,13,16-17H,1-2,4-5,7H2,(H,26,29)(H,27,28);2-3,9-12,14,17-18H,4-8H2,1H3,(H,25,27,28)/t14-,19+,20+;14-,19-,20+;13-,16+,17+;13-,16-,17+;14-,17+,18+/m11111/s1.
What are the key properties of (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2746.84 g/mol, XLogP of 25.60, 25 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S,4R)-2-(3,4-difluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-6-fluoro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-4-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-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 158658970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).