[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C122H129Cl11N12O18S6 — CID 159181781

About [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 159181781) has the molecular formula C122H129Cl11N12O18S6 and a molecular weight of 2633.82 g/mol. Its IUPAC name is [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
• PubChem CID: 159181781
• Molecular Formula: C122H129Cl11N12O18S6
• Molecular Weight: 2633.82 g/mol
• Exact Mass: 2626.44
• IUPAC Name: [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
• SMILES: CC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.CC1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)n1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3C(C)CCC3C)n2)c(Cl)c1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)n1
• InChI: InChI=1S/C23H20Cl2N2O3S.3C20H22Cl2N2O3S.C20H23ClN2O3S.C19H20Cl2N2O3S/c1-15-7-9-21-16(12-15)4-3-11-27(21)23(28)20-6-2-5-18(26-20)14-31(29,30)22-10-8-17(24)13-19(22)25;1-20(2)9-4-10-24(13-20)19(25)17-6-3-5-15(23-17)12-28(26,27)18-8-7-14(21)11-16(18)22;1-13-5-3-6-14(2)24(13)20(25)18-8-4-7-16(23-18)12-28(26,27)19-10-9-15(21)11-17(19)22;1-13-8-14(2)11-24(10-13)20(25)18-5-3-4-16(23-18)12-28(26,27)19-7-6-15(21)9-17(19)22;1-13-7-10-19(17(21)11-13)27(25,26)12-16-5-4-6-18(22-16)20(24)23-14(2)8-9-15(23)3;1-13-4-3-9-23(11-13)19(24)17-6-2-5-15(22-17)12-27(25,26)18-8-7-14(20)10-16(18)21/h2,5-10,12-13H,3-4,11,14H2,1H3;3,5-8,11H,4,9-10,12-13H2,1-2H3;4,7-11,13-14H,3,5-6,12H2,1-2H3;3-7,9,13-14H,8,10-12H2,1-2H3;4-7,10-11,14-15H,8-9,12H2,1-3H3;2,5-8,10,13H,3-4,9,11-12H2,1H3/t;;13-,14+
• InChIKey: KMZIYXHUHAHSDM-CEQMSTDBSA-N
• XLogP: 27.40
• TPSA: 404.04 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2633.82
LogP ≤ 5	27.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?

The IUPAC name of [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 159181781) is [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

What is the SMILES notation for [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?

The canonical SMILES for [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.CC1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(Cl)cc3Cl)n2)C1.C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)n1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3C(C)CCC3C)n2)c(Cl)c1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)n1.

What is the InChIKey of [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?

The InChIKey is KMZIYXHUHAHSDM-CEQMSTDBSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S.3C20H22Cl2N2O3S.C20H23ClN2O3S.C19H20Cl2N2O3S/c1-15-7-9-21-16(12-15)4-3-11-27(21)23(28)20-6-2-5-18(26-20)14-31(29,30)22-10-8-17(24)13-19(22)25;1-20(2)9-4-10-24(13-20)19(25)17-6-3-5-15(23-17)12-28(26,27)18-8-7-14(21)11-16(18)22;1-13-5-3-6-14(2)24(13)20(25)18-8-4-7-16(23-18)12-28(26,27)19-10-9-15(21)11-17(19)22;1-13-8-14(2)11-24(10-13)20(25)18-5-3-4-16(23-18)12-28(26,27)19-7-6-15(21)9-17(19)22;1-13-7-10-19(17(21)11-13)27(25,26)12-16-5-4-6-18(22-16)20(24)23-14(2)8-9-15(23)3;1-13-4-3-9-23(11-13)19(24)17-6-2-5-15(22-17)12-27(25,26)18-8-7-14(20)10-16(18)21/h2,5-10,12-13H,3-4,11,14H2,1H3;3,5-8,11H,4,9-10,12-13H2,1-2H3;4,7-11,13-14H,3,5-6,12H2,1-2H3;3-7,9,13-14H,8,10-12H2,1-2H3;4-7,10-11,14-15H,8-9,12H2,1-3H3;2,5-8,10,13H,3-4,9,11-12H2,1H3/t;;13-,14+;;;.

What are the key properties of [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?

[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 2633.82 g/mol, XLogP of 27.40, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 159181781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).