4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride

C6H5Cl2NO3S — CID 122163905

IUPAC4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1onc(C2CC2)c1Cl
InChIInChI=1S/C6H5Cl2NO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2
InChIKeyOFLNGXQJMWFULJ-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.13
Rot. Bonds2

About 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride

4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride (PubChem CID 122163905) has the molecular formula C6H5Cl2NO3S and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride
PubChem CID122163905
Molecular FormulaC6H5Cl2NO3S
Molecular Weight242.08 g/mol
Exact Mass240.94
IUPAC Name4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1onc(C2CC2)c1Cl
InChIInChI=1S/C6H5Cl2NO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2
InChIKeyOFLNGXQJMWFULJ-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride (CID 122163905) is 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride is O=S(=O)(Cl)c1onc(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride?
The InChIKey is OFLNGXQJMWFULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO3S/c7-4-5(3-1-2-3)9-12-6(4)13(8,10)11/h3H,1-2H2.
What are the key properties of 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride?
4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride has a molecular weight of 242.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropyl-1,2-oxazole-5-sulfonyl chloride is sourced from PubChem (CID 122163905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).