4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide

C13H18N2O5S — CID 82911019

IUPAC4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C13H18N2O5S/c1-8(2)11-5-10(21(14,17)18)3-4-12(11)19-7-9-6-15-13(16)20-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWNBQNBHCLOFXQJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.94
Rot. Bonds5

About 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide

4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide (PubChem CID 82911019) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
PubChem CID82911019
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C13H18N2O5S/c1-8(2)11-5-10(21(14,17)18)3-4-12(11)19-7-9-6-15-13(16)20-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWNBQNBHCLOFXQJ-UHFFFAOYSA-N
XLogP0.94
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide (CID 82911019) is 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is WNBQNBHCLOFXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-8(2)11-5-10(21(14,17)18)3-4-12(11)19-7-9-6-15-13(16)20-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide?
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82911019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).