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

C116H131ClF9N13O19S4 — CID 161095702

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

tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride (PubChem CID 161095702) has the molecular formula C116H131ClF9N13O19S4 and a molecular weight of 2346.10 g/mol. Its IUPAC name is tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride.

Molecular Properties

• Compound Name: tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
• PubChem CID: 161095702
• Molecular Formula: C116H131ClF9N13O19S4
• Molecular Weight: 2346.10 g/mol
• Exact Mass: 2343.81
• IUPAC Name: tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@H](O)[C@@H](N)C1.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.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.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.C22H27N3O3.C7H7ClO2S.C6H15N/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;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/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;4-11,16,19-20,26H,12-13,23H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t2*22-,25+,26+;19-,22+,23+;16-,19+,20+;;/m0000../s1
• InChIKey: UHTLFVYGLYCRBH-DICOHTIZSA-N
• XLogP: 20.13
• TPSA: 413.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.10
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride (CID 161095702) is tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride.

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

The canonical SMILES for tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride is CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@H](O)[C@@H](N)C1.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.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(N[C@H]1CNC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.

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

The InChIKey is UHTLFVYGLYCRBH-DICOHTIZSA-N. The full InChI is InChI=1S/C29H30F3N3O6S.C28H30F3N3O4S.C24H22F3N3O4S.C22H27N3O3.C7H7ClO2S.C6H15N/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;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/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;4-11,16,19-20,26H,12-13,23H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t2*22-,25+,26+;19-,22+,23+;16-,19+,20+;;/m0000../s1.

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

tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride has a molecular weight of 2346.10 g/mol, XLogP of 20.13, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;N-[(3S,4S,5R)-5-(3-tert-butylcarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 161095702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).