1,3-oxazole-2-sulfonyl chloride

C3H2ClNO3S — CID 18974423

IUPAC1,3-oxazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncco1
InChIInChI=1S/C3H2ClNO3S/c4-9(6,7)3-5-1-2-8-3/h1-2H
InChIKeyGLKDGYRKXGSBKY-UHFFFAOYSA-N
MW167.57 g/mol
LogP0.60
Rot. Bonds1

About 1,3-oxazole-2-sulfonyl chloride

1,3-oxazole-2-sulfonyl chloride (PubChem CID 18974423) has the molecular formula C3H2ClNO3S and a molecular weight of 167.57 g/mol. Its IUPAC name is 1,3-oxazole-2-sulfonyl chloride.

Molecular Properties

Compound Name1,3-oxazole-2-sulfonyl chloride
PubChem CID18974423
Molecular FormulaC3H2ClNO3S
Molecular Weight167.57 g/mol
Exact Mass166.94
IUPAC Name1,3-oxazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncco1
InChIInChI=1S/C3H2ClNO3S/c4-9(6,7)3-5-1-2-8-3/h1-2H
InChIKeyGLKDGYRKXGSBKY-UHFFFAOYSA-N
XLogP0.60
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.57
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-2-sulfonyl chloride?
The IUPAC name of 1,3-oxazole-2-sulfonyl chloride (CID 18974423) is 1,3-oxazole-2-sulfonyl chloride.
What is the SMILES notation for 1,3-oxazole-2-sulfonyl chloride?
The canonical SMILES for 1,3-oxazole-2-sulfonyl chloride is O=S(=O)(Cl)c1ncco1.
What is the InChIKey of 1,3-oxazole-2-sulfonyl chloride?
The InChIKey is GLKDGYRKXGSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNO3S/c4-9(6,7)3-5-1-2-8-3/h1-2H.
What are the key properties of 1,3-oxazole-2-sulfonyl chloride?
1,3-oxazole-2-sulfonyl chloride has a molecular weight of 167.57 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-2-sulfonyl chloride is sourced from PubChem (CID 18974423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).