[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

C44H44Cl4N4O6S2 — CID 123619367

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H22Cl2N2O3S.C20H22Cl2N2O3S/c25-20-9-5-10-21(26)23(20)32(30,31)16-19-8-4-11-22(27-19)24(29)28-14-12-18(13-15-28)17-6-2-1-3-7-17;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-28(26,27)18-15(21)7-4-8-16(18)22/h1-11,18H,12-16H2;3-4,6-9H,5,10-13H2,1-2H3
InChIKeyMVNGIAVGJSSAND-UHFFFAOYSA-N
MW930.80 g/mol
LogP10.01
Rot. Bonds9

About [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 123619367) has the molecular formula C44H44Cl4N4O6S2 and a molecular weight of 930.80 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID123619367
Molecular FormulaC44H44Cl4N4O6S2
Molecular Weight930.80 g/mol
Exact Mass928.15
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H22Cl2N2O3S.C20H22Cl2N2O3S/c25-20-9-5-10-21(26)23(20)32(30,31)16-19-8-4-11-22(27-19)24(29)28-14-12-18(13-15-28)17-6-2-1-3-7-17;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-28(26,27)18-15(21)7-4-8-16(18)22/h1-11,18H,12-16H2;3-4,6-9H,5,10-13H2,1-2H3
InChIKeyMVNGIAVGJSSAND-UHFFFAOYSA-N
XLogP10.01
TPSA134.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.80
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Pyridine amide, 8
CID 44236983
[6-[(2,6-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 58210912
[6-[(2,6-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 58211070
[6-[(2-Chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 58730588
Azocan-1-yl-[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;(2-propylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158032931
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;bis([6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 158180156
[6-[(5-Tert-butyl-2-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[1-(4-methylpiperidin-1-yl)ethenyl]-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine
CID 159169699
[6-[(2,6-Dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 11989979
[6-[(2,6-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 58210554
[6-[(2-Chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 58210592
[6-[(2-Chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210658
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58210701

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (CID 123619367) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1.O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is MVNGIAVGJSSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3S.C20H22Cl2N2O3S/c25-20-9-5-10-21(26)23(20)32(30,31)16-19-8-4-11-22(27-19)24(29)28-14-12-18(13-15-28)17-6-2-1-3-7-17;1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-28(26,27)18-15(21)7-4-8-16(18)22/h1-11,18H,12-16H2;3-4,6-9H,5,10-13H2,1-2H3.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 930.80 g/mol, XLogP of 10.01, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 123619367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).