N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride

C75H79Cl3F5N7O7S2 — CID 157450508

About N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride

N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride (PubChem CID 157450508) has the molecular formula C75H79Cl3F5N7O7S2 and a molecular weight of 1455.98 g/mol. Its IUPAC name is N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride.

Molecular Properties

• Compound Name: N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride
• PubChem CID: 157450508
• Molecular Formula: C75H79Cl3F5N7O7S2
• Molecular Weight: 1455.98 g/mol
• Exact Mass: 1453.45
• IUPAC Name: N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride
• SMILES: CCn1c(C)c(C2CC3CC2CC3NC(=O)c2ccc3ccccc3n2)c2cc(F)ccc21.CCn1c(C)c(C2CC3CC2CC3NS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc21.Cc1c(C2CC3CC2CN3S(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl
• InChI: InChI=1S/C28H28FN3O.C24H26F2N2O2S.C23H22F2N2O4S.3ClH/c1-3-32-16(2)27(22-15-20(29)9-11-26(22)32)21-13-19-12-18(21)14-25(19)31-28(33)24-10-8-17-6-4-5-7-23(17)30-24;1-3-28-14(2)24(21-13-18(26)6-9-23(21)28)20-11-16-10-15(20)12-22(16)27-31(29,30)19-7-4-17(25)5-8-19;1-13-23(20-9-16(25)4-7-21(20)26(13)12-22(28)29)19-10-17-8-14(19)11-27(17)32(30,31)18-5-2-15(24)3-6-18;;;/h4-11,15,18-19,21,25H,3,12-14H2,1-2H3,(H,31,33);4-9,13,15-16,20,22,27H,3,10-12H2,1-2H3;2-7,9,14,17,19H,8,10-12H2,1H3,(H,28,29);3*1H
• InChIKey: BWICQIDWUOHNQD-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 177.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.98
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride?

The IUPAC name of N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride (CID 157450508) is N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride.

What is the SMILES notation for N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride?

The canonical SMILES for N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride is CCn1c(C)c(C2CC3CC2CC3NC(=O)c2ccc3ccccc3n2)c2cc(F)ccc21.CCn1c(C)c(C2CC3CC2CC3NS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc21.Cc1c(C2CC3CC2CN3S(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl.

What is the InChIKey of N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride?

The InChIKey is BWICQIDWUOHNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O.C24H26F2N2O2S.C23H22F2N2O4S.3ClH/c1-3-32-16(2)27(22-15-20(29)9-11-26(22)32)21-13-19-12-18(21)14-25(19)31-28(33)24-10-8-17-6-4-5-7-23(17)30-24;1-3-28-14(2)24(21-13-18(26)6-9-23(21)28)20-11-16-10-15(20)12-22(16)27-31(29,30)19-7-4-17(25)5-8-19;1-13-23(20-9-16(25)4-7-21(20)26(13)12-22(28)29)19-10-17-8-14(19)11-27(17)32(30,31)18-5-2-15(24)3-6-18;;;/h4-11,15,18-19,21,25H,3,12-14H2,1-2H3,(H,31,33);4-9,13,15-16,20,22,27H,3,10-12H2,1-2H3;2-7,9,14,17,19H,8,10-12H2,1H3,(H,28,29);3*1H.

What are the key properties of N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride?

N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride has a molecular weight of 1455.98 g/mol, XLogP of 16.22, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide;N-[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-bicyclo[2.2.1]heptanyl]quinoline-2-carboxamide;2-[5-fluoro-3-[2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylindol-1-yl]acetic acid;trihydrochloride is sourced from PubChem (CID 157450508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).