[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

C19H20Cl2N2O3S — CID 58210717

IUPAC[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-10-16(21)18(11-15(13)20)27(25,26)12-14-6-5-7-17(22-14)19(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyPCFOFPXUKSWWAR-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.30
Rot. Bonds4

About [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone

[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 58210717) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID58210717
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-10-16(21)18(11-15(13)20)27(25,26)12-14-6-5-7-17(22-14)19(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyPCFOFPXUKSWWAR-UHFFFAOYSA-N
XLogP4.30
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 58210717) is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone is Cc1cc(Cl)c(S(=O)(=O)Cc2cccc(C(=O)N3CCCCC3)n2)cc1Cl.
What is the InChIKey of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is PCFOFPXUKSWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-10-16(21)18(11-15(13)20)27(25,26)12-14-6-5-7-17(22-14)19(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3.
What are the key properties of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone?
[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 427.35 g/mol, XLogP of 4.30, 4 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 58210717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).