azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

C123H144Cl6N12O18S6 — CID 159385046

IUPACazocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/4C21H25ClN2O3S.C20H23ClN2O3S.C19H21ClN2O3S/c1-15-7-4-9-17(22)19(15)28(26,27)13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-28(26,27)20-16(3)6-4-8-18(20)22;1-16-9-7-11-18(22)20(16)28(26,27)15-17-10-8-12-19(23-17)21(25)24-13-5-3-2-4-6-14-24;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-28(26,27)20-15(2)8-6-11-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-27(25,26)19-15(2)7-3-9-17(19)21;1-14-7-5-9-16(20)18(14)26(24,25)13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22/h4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;7-12H,2-6,13-15H2,1H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;5-10H,2-4,11-13H2,1H3
InChIKeyLLJSMTWNULKVTF-UHFFFAOYSA-N
MW2483.69 g/mol
LogP24.79
Rot. Bonds25

About azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 159385046) has the molecular formula C123H144Cl6N12O18S6 and a molecular weight of 2483.69 g/mol. Its IUPAC name is azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID159385046
Molecular FormulaC123H144Cl6N12O18S6
Molecular Weight2483.69 g/mol
Exact Mass2478.72
IUPAC Nameazocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/4C21H25ClN2O3S.C20H23ClN2O3S.C19H21ClN2O3S/c1-15-7-4-9-17(22)19(15)28(26,27)13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-28(26,27)20-16(3)6-4-8-18(20)22;1-16-9-7-11-18(22)20(16)28(26,27)15-17-10-8-12-19(23-17)21(25)24-13-5-3-2-4-6-14-24;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-28(26,27)20-15(2)8-6-11-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-27(25,26)19-15(2)7-3-9-17(19)21;1-14-7-5-9-16(20)18(14)26(24,25)13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22/h4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;7-12H,2-6,13-15H2,1H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;5-10H,2-4,11-13H2,1H3
InChIKeyLLJSMTWNULKVTF-UHFFFAOYSA-N
XLogP24.79
TPSA404.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.69
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 159385046) is azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CC(C)CC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1.
What is the InChIKey of azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is LLJSMTWNULKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H25ClN2O3S.C20H23ClN2O3S.C19H21ClN2O3S/c1-15-7-4-9-17(22)19(15)28(26,27)13-16-8-5-10-18(23-16)20(25)24-12-6-11-21(2,3)14-24;1-14-10-15(2)12-24(11-14)21(25)19-9-5-7-17(23-19)13-28(26,27)20-16(3)6-4-8-18(20)22;1-16-9-7-11-18(22)20(16)28(26,27)15-17-10-8-12-19(23-17)21(25)24-13-5-3-2-4-6-14-24;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-28(26,27)20-15(2)8-6-11-18(20)22;1-14-6-5-11-23(12-14)20(24)18-10-4-8-16(22-18)13-27(25,26)19-15(2)7-3-9-17(19)21;1-14-7-5-9-16(20)18(14)26(24,25)13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22/h4-5,7-10H,6,11-14H2,1-3H3;4-9,14-15H,10-13H2,1-3H3;7-12H,2-6,13-15H2,1H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-4,7-10,14H,5-6,11-13H2,1-2H3;5-10H,2-4,11-13H2,1H3.
What are the key properties of azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 2483.69 g/mol, XLogP of 24.79, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).