[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C19H17Cl2F3N2O3S — CID 58211170

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-14-4-2-5-15(21)17(14)30(28,29)11-13-3-1-6-16(25-13)18(27)26-9-7-12(8-10-26)19(22,23)24/h1-6,12H,7-11H2
InChIKeyVIJLHUUVBUXPKM-UHFFFAOYSA-N
MW481.32 g/mol
LogP4.78
Rot. Bonds4

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

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 58211170) has the molecular formula C19H17Cl2F3N2O3S and a molecular weight of 481.32 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID58211170
Molecular FormulaC19H17Cl2F3N2O3S
Molecular Weight481.32 g/mol
Exact Mass480.03
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H17Cl2F3N2O3S/c20-14-4-2-5-15(21)17(14)30(28,29)11-13-3-1-6-16(25-13)18(27)26-9-7-12(8-10-26)19(22,23)24/h1-6,12H,7-11H2
InChIKeyVIJLHUUVBUXPKM-UHFFFAOYSA-N
XLogP4.78
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 58211170) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VIJLHUUVBUXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O3S/c20-14-4-2-5-15(21)17(14)30(28,29)11-13-3-1-6-16(25-13)18(27)26-9-7-12(8-10-26)19(22,23)24/h1-6,12H,7-11H2.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 481.32 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58211170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).