N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

C81H82F9N9O14S3 — CID 157312574

About N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 157312574) has the molecular formula C81H82F9N9O14S3 and a molecular weight of 1672.78 g/mol. Its IUPAC name is N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
• PubChem CID: 157312574
• Molecular Formula: C81H82F9N9O14S3
• Molecular Weight: 1672.78 g/mol
• Exact Mass: 1671.50
• IUPAC Name: N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2[C@H]1CNC[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1O.O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C29H30F3N3O6S.C28H30F3N3O4S.C24H22F3N3O4S/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35;1-27(2,3)17-8-13-24-21(14-17)20-6-4-5-7-23(20)34(24)25-16-32-15-22(26(25)35)33-39(36,37)19-11-9-18(10-12-19)38-28(29,30)31;25-24(26,27)34-15-9-11-16(12-10-15)35(32,33)29-19-13-28-14-22(23(19)31)30-20-7-3-1-5-17(20)18-6-2-4-8-21(18)30/h4-15,22,25-26,33,36H,16-17H2,1-3H3;4-14,22,25-26,32-33,35H,15-16H2,1-3H3;1-12,19,22-23,28-29,31H,13-14H2/t2*22-,25+,26+;19-,22+,23+/m111/s1
• InChIKey: BDFDXHBAILSTEC-IOWQUDBFSA-N
• XLogP: 13.58
• TPSA: 295.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.78
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The IUPAC name of N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 157312574) is N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

What is the SMILES notation for N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The canonical SMILES for N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2[C@H]1CNC[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1O.O=S(=O)(N[C@@H]1CNC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The InChIKey is BDFDXHBAILSTEC-IOWQUDBFSA-N. The full InChI is InChI=1S/C29H30F3N3O6S.C28H30F3N3O4S.C24H22F3N3O4S/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35;1-27(2,3)17-8-13-24-21(14-17)20-6-4-5-7-23(20)34(24)25-16-32-15-22(26(25)35)33-39(36,37)19-11-9-18(10-12-19)38-28(29,30)31;25-24(26,27)34-15-9-11-16(12-10-15)35(32,33)29-19-13-28-14-22(23(19)31)30-20-7-3-1-5-17(20)18-6-2-4-8-21(18)30/h4-15,22,25-26,33,36H,16-17H2,1-3H3;4-14,22,25-26,32-33,35H,15-16H2,1-3H3;1-12,19,22-23,28-29,31H,13-14H2/t2*22-,25+,26+;19-,22+,23+/m111/s1.

What are the key properties of N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 1672.78 g/mol, XLogP of 13.58, 15 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R,5S)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 157312574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).