(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H20Cl2N4O5S — CID 24996417

IUPAC(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1
InChIInChI=1S/C19H20Cl2N4O5S/c20-13-1-3-16(21)17(9-13)31(28,29)24-7-5-23(6-8-24)18-4-2-14(10-22-18)25-11-15(12-26)30-19(25)27/h1-4,9-10,15,26H,5-8,11-12H2/t15-/m1/s1
InChIKeyAXIPKDSETDXVLC-OAHLLOKOSA-N
MW487.37 g/mol
LogP2.22
Rot. Bonds5

About (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 24996417) has the molecular formula C19H20Cl2N4O5S and a molecular weight of 487.37 g/mol. Its IUPAC name is (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID24996417
Molecular FormulaC19H20Cl2N4O5S
Molecular Weight487.37 g/mol
Exact Mass486.05
IUPAC Name(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1
InChIInChI=1S/C19H20Cl2N4O5S/c20-13-1-3-16(21)17(9-13)31(28,29)24-7-5-23(6-8-24)18-4-2-14(10-22-18)25-11-15(12-26)30-19(25)27/h1-4,9-10,15,26H,5-8,11-12H2/t15-/m1/s1
InChIKeyAXIPKDSETDXVLC-OAHLLOKOSA-N
XLogP2.22
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 24996417) is (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1.
What is the InChIKey of (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is AXIPKDSETDXVLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20Cl2N4O5S/c20-13-1-3-16(21)17(9-13)31(28,29)24-7-5-23(6-8-24)18-4-2-14(10-22-18)25-11-15(12-26)30-19(25)27/h1-4,9-10,15,26H,5-8,11-12H2/t15-/m1/s1.
What are the key properties of (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 487.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24996417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).