2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline

C147H173F3N18O21S8 — CID 160581363

IUPAC2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3ccc4ncccc4c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc([N+](=O)[O-])c3)n2)CC1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1C.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F.Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C20H21N3O2S.C20H26N2O2S.C19H24N2O3S.C18H21FN2O3S.C18H21FN2O2S.C18H22N2O3S.C17H19FN2O2S.C17H19N3O4S/c1-15-9-12-23(13-10-15)26(24,25)20-6-2-5-19(22-20)17-7-8-18-16(14-17)4-3-11-21-18;1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22;1-14-9-11-21(12-10-14)25(22,23)19-6-4-5-17(20-19)16-7-8-18(24-3)15(2)13-16;1-13-8-10-21(11-9-13)25(22,23)18-5-3-4-16(20-18)14-6-7-17(24-2)15(19)12-14;1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15;1-14-10-12-20(13-11-14)24(21,22)18-5-3-4-17(19-18)15-6-8-16(23-2)9-7-15;1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14;1-13-8-10-19(11-9-13)25(23,24)17-7-3-6-16(18-17)14-4-2-5-15(12-14)20(21)22/h2-8,11,14-15H,9-10,12-13H2,1H3;4-10,15-16H,11-14H2,1-3H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-9,14H,10-13H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3
InChIKeyRBVCOMBTWXGNBM-UHFFFAOYSA-N
MW2841.64 g/mol
LogP27.99
Rot. Bonds29

About 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline

2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline (PubChem CID 160581363) has the molecular formula C147H173F3N18O21S8 and a molecular weight of 2841.64 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline
PubChem CID160581363
Molecular FormulaC147H173F3N18O21S8
Molecular Weight2841.64 g/mol
Exact Mass2839.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3ccc4ncccc4c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc([N+](=O)[O-])c3)n2)CC1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1C.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F.Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C20H21N3O2S.C20H26N2O2S.C19H24N2O3S.C18H21FN2O3S.C18H21FN2O2S.C18H22N2O3S.C17H19FN2O2S.C17H19N3O4S/c1-15-9-12-23(13-10-15)26(24,25)20-6-2-5-19(22-20)17-7-8-18-16(14-17)4-3-11-21-18;1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22;1-14-9-11-21(12-10-14)25(22,23)19-6-4-5-17(20-19)16-7-8-18(24-3)15(2)13-16;1-13-8-10-21(11-9-13)25(22,23)18-5-3-4-16(20-18)14-6-7-17(24-2)15(19)12-14;1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15;1-14-10-12-20(13-11-14)24(21,22)18-5-3-4-17(19-18)15-6-8-16(23-2)9-7-15;1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14;1-13-8-10-19(11-9-13)25(23,24)17-7-3-6-16(18-17)14-4-2-5-15(12-14)20(21)22/h2-8,11,14-15H,9-10,12-13H2,1H3;4-10,15-16H,11-14H2,1-3H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-9,14H,10-13H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3
InChIKeyRBVCOMBTWXGNBM-UHFFFAOYSA-N
XLogP27.99
TPSA485.88 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002841.64
LogP ≤ 527.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline (CID 160581363) is 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline is CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3ccc4ncccc4c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1.CC1CCN(S(=O)(=O)c2cccc(-c3cccc([N+](=O)[O-])c3)n2)CC1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1C.COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F.Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline?
The InChIKey is RBVCOMBTWXGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.C20H26N2O2S.C19H24N2O3S.C18H21FN2O3S.C18H21FN2O2S.C18H22N2O3S.C17H19FN2O2S.C17H19N3O4S/c1-15-9-12-23(13-10-15)26(24,25)20-6-2-5-19(22-20)17-7-8-18-16(14-17)4-3-11-21-18;1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22;1-14-9-11-21(12-10-14)25(22,23)19-6-4-5-17(20-19)16-7-8-18(24-3)15(2)13-16;1-13-8-10-21(11-9-13)25(22,23)18-5-3-4-16(20-18)14-6-7-17(24-2)15(19)12-14;1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15;1-14-10-12-20(13-11-14)24(21,22)18-5-3-4-17(19-18)15-6-8-16(23-2)9-7-15;1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14;1-13-8-10-19(11-9-13)25(23,24)17-7-3-6-16(18-17)14-4-2-5-15(12-14)20(21)22/h2-8,11,14-15H,9-10,12-13H2,1H3;4-10,15-16H,11-14H2,1-3H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-9,14H,10-13H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline?
2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline has a molecular weight of 2841.64 g/mol, XLogP of 27.99, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxy-3-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(3-nitrophenyl)pyridine;2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine;6-[6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]quinoline is sourced from PubChem (CID 160581363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).