(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C50H52F6N6O6S4 — CID 158881510

IUPAC(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1
InChIInChI=1S/2C25H26F3N3O3S2/c2*26-25(27,28)18-4-7-23(21(15-18)16-8-10-29-11-9-16)34-22-3-1-2-17-14-19(5-6-20(17)22)36(32,33)31-24-30-12-13-35-24/h2*4-7,12-16,22,29H,1-3,8-11H2,(H,30,31)/t2*22-/m10/s1
InChIKeyJDBSVUVKTPEJTK-IKXJNKEISA-N
MW1075.26 g/mol
LogP11.77
Rot. Bonds12

About (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 158881510) has the molecular formula C50H52F6N6O6S4 and a molecular weight of 1075.26 g/mol. Its IUPAC name is (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID158881510
Molecular FormulaC50H52F6N6O6S4
Molecular Weight1075.26 g/mol
Exact Mass1074.27
IUPAC Name(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1
InChIInChI=1S/2C25H26F3N3O3S2/c2*26-25(27,28)18-4-7-23(21(15-18)16-8-10-29-11-9-16)34-22-3-1-2-17-14-19(5-6-20(17)22)36(32,33)31-24-30-12-13-35-24/h2*4-7,12-16,22,29H,1-3,8-11H2,(H,30,31)/t2*22-/m10/s1
InChIKeyJDBSVUVKTPEJTK-IKXJNKEISA-N
XLogP11.77
TPSA160.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.26
LogP ≤ 511.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

4-[2-(1-chloropiperidin-4-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 129141474
(4R)-2,2-dimethyl-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydrochromene-7-sulfonamide
CID 129133019
(4R)-2,2-dimethyl-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydrochromene-7-sulfonamide;hydrochloride
CID 158606020
(4R)-4-[2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 118418223
4-[2-(4-cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 118418227
molecular hydrogen;4-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-(trifluoromethyl)phenyl]piperidine
CID 160691780
(4R)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 129115202
4-[2-(1-oxidopyridin-1-ium-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 129115210
4-[2-cyano-4-(trifluoromethyl)phenoxy]-2,2-dimethyl-N-(1,3-thiazol-2-yl)-3,4-dihydrochromene-7-sulfonamide
CID 123926444
2,2-dimethyl-4-[2-pyrazol-1-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydrochromene-7-sulfonamide
CID 118418272
4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465808
(2,3,4,5,6-pentafluorophenyl) (5R)-5-[2-bromo-4-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydronaphthalene-2-sulfonate
CID 118425551

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 158881510) is (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1.O=S(=O)(Nc1nccs1)c1ccc2c(c1)CCC[C@H]2Oc1ccc(C(F)(F)F)cc1C1CCNCC1.
What is the InChIKey of (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JDBSVUVKTPEJTK-IKXJNKEISA-N. The full InChI is InChI=1S/2C25H26F3N3O3S2/c2*26-25(27,28)18-4-7-23(21(15-18)16-8-10-29-11-9-16)34-22-3-1-2-17-14-19(5-6-20(17)22)36(32,33)31-24-30-12-13-35-24/h2*4-7,12-16,22,29H,1-3,8-11H2,(H,30,31)/t2*22-/m10/s1.
What are the key properties of (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
(5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 1075.26 g/mol, XLogP of 11.77, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;(5S)-5-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 158881510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).