8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C111H110Cl2F2N12O12S6 — CID 160583298

About 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 160583298) has the molecular formula C111H110Cl2F2N12O12S6 and a molecular weight of 2105.48 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
• PubChem CID: 160583298
• Molecular Formula: C111H110Cl2F2N12O12S6
• Molecular Weight: 2105.48 g/mol
• Exact Mass: 2102.60
• IUPAC Name: 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
• SMILES: CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3c2C1.CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccc(F)c4)cc3c2C1.CN1CCc2[nH]c3ccc(S(=O)(=O)c4ccccc4)cc3c2C1.CN1CCc2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc3n2C)C1.CN1CCc2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc3n2C)C1.CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1
• InChI: InChI=1S/C19H19ClN2O2S.C19H19FN2O2S.C19H20N2O2S.C18H17ClN2O2S.C18H17FN2O2S.C18H18N2O2S/c2*1-21-9-8-19-17(12-21)16-11-15(6-7-18(16)22(19)2)25(23,24)14-5-3-4-13(20)10-14;1-20-11-10-19-17(13-20)16-12-15(8-9-18(16)21(19)2)24(22,23)14-6-4-3-5-7-14;2*1-21-8-7-18-16(11-21)15-10-14(5-6-17(15)20-18)24(22,23)13-4-2-3-12(19)9-13;1-20-10-9-18-16(12-20)15-11-14(7-8-17(15)19-18)23(21,22)13-5-3-2-4-6-13/h2*3-7,10-11H,8-9,12H2,1-2H3;3-9,12H,10-11,13H2,1-2H3;2*2-6,9-10,20H,7-8,11H2,1H3;2-8,11,19H,9-10,12H2,1H3
• InChIKey: RCBJQMDJYBJKIU-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 286.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.48
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?

The IUPAC name of 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 160583298) is 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

What is the SMILES notation for 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?

The canonical SMILES for 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3c2C1.CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccc(F)c4)cc3c2C1.CN1CCc2[nH]c3ccc(S(=O)(=O)c4ccccc4)cc3c2C1.CN1CCc2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc3n2C)C1.CN1CCc2c(c3cc(S(=O)(=O)c4cccc(F)c4)ccc3n2C)C1.CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1.

What is the InChIKey of 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?

The InChIKey is RCBJQMDJYBJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S.C19H19FN2O2S.C19H20N2O2S.C18H17ClN2O2S.C18H17FN2O2S.C18H18N2O2S/c2*1-21-9-8-19-17(12-21)16-11-15(6-7-18(16)22(19)2)25(23,24)14-5-3-4-13(20)10-14;1-20-11-10-19-17(13-20)16-12-15(8-9-18(16)21(19)2)24(22,23)14-6-4-3-5-7-14;2*1-21-8-7-18-16(11-21)15-10-14(5-6-17(15)20-18)24(22,23)13-4-2-3-12(19)9-13;1-20-10-9-18-16(12-20)15-11-14(7-8-17(15)19-18)23(21,22)13-5-3-2-4-6-13/h2*3-7,10-11H,8-9,12H2,1-2H3;3-9,12H,10-11,13H2,1-2H3;2*2-6,9-10,20H,7-8,11H2,1H3;2-8,11,19H,9-10,12H2,1H3.

What are the key properties of 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?

8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 2105.48 g/mol, XLogP of 19.55, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(benzenesulfonyl)-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(benzenesulfonyl)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-chlorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 160583298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).