N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

C129H121F15N8O26S5 — CID 159273225

About N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 159273225) has the molecular formula C129H121F15N8O26S5 and a molecular weight of 2644.72 g/mol. Its IUPAC name is N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

• Compound Name: N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
• PubChem CID: 159273225
• Molecular Formula: C129H121F15N8O26S5
• Molecular Weight: 2644.72 g/mol
• Exact Mass: 2642.68
• IUPAC Name: N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
• SMILES: CC(C)(C)OC(=O)OC1C=CCOC1.O=S(=O)(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1.O=S(=O)(N[C@H]1COC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@@H]1C=CCOC1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1COC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1COC[C@@H]2O[C@@H]21.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C31H27F3N2O5S.C24H21F3N2O5S.C19H18F3NO5S.C19H18F3NO4S.C14H12F3NO3S.C12H9N.C10H16O4/c32-31(33,34)41-22-14-16-23(17-15-22)42(38,39)35(18-21-8-2-1-3-9-21)28-19-40-20-29(30(28)37)36-26-12-6-4-10-24(26)25-11-5-7-13-27(25)36;25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;20-19(21,22)28-14-6-8-15(9-7-14)29(24,25)23(10-13-4-2-1-3-5-13)16-11-26-12-17-18(16)27-17;20-19(21,22)27-17-8-10-18(11-9-17)28(24,25)23(16-7-4-12-26-14-16)13-15-5-2-1-3-6-15;15-14(16,17)21-12-6-8-13(9-7-12)22(19,20)18-10-11-4-2-1-3-5-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8/h1-17,28-30,37H,18-20H2;1-12,19,22-23,28,30H,13-14H2;1-9,16-18H,10-12H2;1-11,16H,12-14H2;1-9,18H,10H2;1-8,13H;4-5,8H,6-7H2,1-3H3/t28-,29+,30+;19-,22+,23+;16-,17-,18+;16-;;;/m0001.../s1
• InChIKey: KXZAQBMJSVTCCB-QQEZHUFMSA-N
• XLogP: 24.81
• TPSA: 410.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2644.72
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The IUPAC name of N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 159273225) is N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide.

What is the SMILES notation for N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The canonical SMILES for N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is CC(C)(C)OC(=O)OC1C=CCOC1.O=S(=O)(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1.O=S(=O)(N[C@H]1COC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@@H]1C=CCOC1.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1COC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)[C@H]1COC[C@@H]2O[C@@H]21.c1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

The InChIKey is KXZAQBMJSVTCCB-QQEZHUFMSA-N. The full InChI is InChI=1S/C31H27F3N2O5S.C24H21F3N2O5S.C19H18F3NO5S.C19H18F3NO4S.C14H12F3NO3S.C12H9N.C10H16O4/c32-31(33,34)41-22-14-16-23(17-15-22)42(38,39)35(18-21-8-2-1-3-9-21)28-19-40-20-29(30(28)37)36-26-12-6-4-10-24(26)25-11-5-7-13-27(25)36;25-24(26,27)34-15-9-11-16(12-10-15)35(31,32)28-19-13-33-14-22(23(19)30)29-20-7-3-1-5-17(20)18-6-2-4-8-21(18)29;20-19(21,22)28-14-6-8-15(9-7-14)29(24,25)23(10-13-4-2-1-3-5-13)16-11-26-12-17-18(16)27-17;20-19(21,22)27-17-8-10-18(11-9-17)28(24,25)23(16-7-4-12-26-14-16)13-15-5-2-1-3-6-15;15-14(16,17)21-12-6-8-13(9-7-12)22(19,20)18-10-11-4-2-1-3-5-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8/h1-17,28-30,37H,18-20H2;1-12,19,22-23,28,30H,13-14H2;1-9,16-18H,10-12H2;1-11,16H,12-14H2;1-9,18H,10H2;1-8,13H;4-5,8H,6-7H2,1-3H3/t28-,29+,30+;19-,22+,23+;16-,17-,18+;16-;;;/m0001.../s1.

What are the key properties of N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide?

N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 2644.72 g/mol, XLogP of 24.81, 30 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(3R)-3,6-dihydro-2H-pyran-3-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-N-[(1S,5S,6R)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4-(trifluoromethoxy)benzenesulfonamide;N-benzyl-4-(trifluoromethoxy)benzenesulfonamide;tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9H-carbazole;N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 159273225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).