3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C19H26Cl2N2O4S — CID 3800191

IUPAC3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2C(=O)OCC2CC(C)C)CC1
InChIInChI=1S/C19H26Cl2N2O4S/c1-12(2)8-16-11-27-19(24)23(16)15-4-6-22(7-5-15)28(25,26)18-13(3)9-14(20)10-17(18)21/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyYFKOVTAHRQFQGT-UHFFFAOYSA-N
MW449.40 g/mol
LogP4.32
Rot. Bonds5

About 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3800191) has the molecular formula C19H26Cl2N2O4S and a molecular weight of 449.40 g/mol. Its IUPAC name is 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3800191
Molecular FormulaC19H26Cl2N2O4S
Molecular Weight449.40 g/mol
Exact Mass448.10
IUPAC Name3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2C(=O)OCC2CC(C)C)CC1
InChIInChI=1S/C19H26Cl2N2O4S/c1-12(2)8-16-11-27-19(24)23(16)15-4-6-22(7-5-15)28(25,26)18-13(3)9-14(20)10-17(18)21/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyYFKOVTAHRQFQGT-UHFFFAOYSA-N
XLogP4.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3800191) is 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2C(=O)OCC2CC(C)C)CC1.
What is the InChIKey of 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is YFKOVTAHRQFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O4S/c1-12(2)8-16-11-27-19(24)23(16)15-4-6-22(7-5-15)28(25,26)18-13(3)9-14(20)10-17(18)21/h9-10,12,15-16H,4-8,11H2,1-3H3.
What are the key properties of 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 449.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3800191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).