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

C19H20Cl2N2O3S — CID 58210705

IUPAC[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-8-10-23(11-9-13)19(24)16-6-2-4-14(22-16)12-27(25,26)17-7-3-5-15(20)18(17)21/h2-7,13H,8-12H2,1H3
InChIKeyUEQGFHJTQMSTGX-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.23
Rot. Bonds4

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

[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58210705) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58210705
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-8-10-23(11-9-13)19(24)16-6-2-4-14(22-16)12-27(25,26)17-7-3-5-15(20)18(17)21/h2-7,13H,8-12H2,1H3
InChIKeyUEQGFHJTQMSTGX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58210705) is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UEQGFHJTQMSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-8-10-23(11-9-13)19(24)16-6-2-4-14(22-16)12-27(25,26)17-7-3-5-15(20)18(17)21/h2-7,13H,8-12H2,1H3.
What are the key properties of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 427.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).