2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide

C5H9ClN2O4S — CID 107858543

IUPAC2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide
SMILESO=C1NOC[C@H]1NS(=O)(=O)CCCl
InChIInChI=1S/C5H9ClN2O4S/c6-1-2-13(10,11)8-4-3-12-7-5(4)9/h4,8H,1-3H2,(H,7,9)/t4-/m1/s1
InChIKeyOQALWSMYDVDHKH-SCSAIBSYSA-N
MW228.66 g/mol
LogP-1.43
Rot. Bonds4

About 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide

2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide (PubChem CID 107858543) has the molecular formula C5H9ClN2O4S and a molecular weight of 228.66 g/mol. Its IUPAC name is 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide
PubChem CID107858543
Molecular FormulaC5H9ClN2O4S
Molecular Weight228.66 g/mol
Exact Mass228.00
IUPAC Name2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide
SMILESO=C1NOC[C@H]1NS(=O)(=O)CCCl
InChIInChI=1S/C5H9ClN2O4S/c6-1-2-13(10,11)8-4-3-12-7-5(4)9/h4,8H,1-3H2,(H,7,9)/t4-/m1/s1
InChIKeyOQALWSMYDVDHKH-SCSAIBSYSA-N
XLogP-1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide (CID 107858543) is 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide is O=C1NOC[C@H]1NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide?
The InChIKey is OQALWSMYDVDHKH-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9ClN2O4S/c6-1-2-13(10,11)8-4-3-12-7-5(4)9/h4,8H,1-3H2,(H,7,9)/t4-/m1/s1.
What are the key properties of 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide?
2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide has a molecular weight of 228.66 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 107858543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).