[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone

C25H24Cl2N2O3S — CID 58210661

IUPAC[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3c3ccccc3)n2)cc1Cl
InChIInChI=1S/C25H24Cl2N2O3S/c1-17-14-21(27)24(15-20(17)26)33(31,32)16-19-10-7-11-22(28-19)25(30)29-13-6-5-12-23(29)18-8-3-2-4-9-18/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3
InChIKeyKNOCXBURYGTCLI-UHFFFAOYSA-N
MW503.45 g/mol
LogP6.04
Rot. Bonds5

About [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone

[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone (PubChem CID 58210661) has the molecular formula C25H24Cl2N2O3S and a molecular weight of 503.45 g/mol. Its IUPAC name is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
PubChem CID58210661
Molecular FormulaC25H24Cl2N2O3S
Molecular Weight503.45 g/mol
Exact Mass502.09
IUPAC Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3c3ccccc3)n2)cc1Cl
InChIInChI=1S/C25H24Cl2N2O3S/c1-17-14-21(27)24(15-20(17)26)33(31,32)16-19-10-7-11-22(28-19)25(30)29-13-6-5-12-23(29)18-8-3-2-4-9-18/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3
InChIKeyKNOCXBURYGTCLI-UHFFFAOYSA-N
XLogP6.04
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone with MolForge

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Related Compounds

Pyridine amide, 8
CID 44236983
Pyridine amide, 19
CID 44236987
[6-(3-Chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71105563
[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl](4-methylpiperazin-1-yl)methanone
CID 23114786
[6-[(2-Chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210612
[6-[(3-Chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210733
[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-[(2,6-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 58211170
(4-Fluoro-4-methylpiperidin-1-yl)-[6-[(2,4,5-trichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58211470
[6-[(2,3-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 58211526
[6-[(2-Chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 58730588

Frequently Asked Questions

What is the IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone (CID 58210661) is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone is Cc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3c3ccccc3)n2)cc1Cl.
What is the InChIKey of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone?
The InChIKey is KNOCXBURYGTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3S/c1-17-14-21(27)24(15-20(17)26)33(31,32)16-19-10-7-11-22(28-19)25(30)29-13-6-5-12-23(29)18-8-3-2-4-9-18/h2-4,7-11,14-15,23H,5-6,12-13,16H2,1H3.
What are the key properties of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone?
[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone has a molecular weight of 503.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).