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

C4H3Cl2NO3S — CID 125424429

IUPAC4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride
SMILESCc1noc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C4H3Cl2NO3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3
InChIKeyIPWIBJUUFUIKSC-UHFFFAOYSA-N
MW216.04 g/mol
LogP1.56
Rot. Bonds1

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

4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride (PubChem CID 125424429) has the molecular formula C4H3Cl2NO3S and a molecular weight of 216.04 g/mol. Its IUPAC name is 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride
PubChem CID125424429
Molecular FormulaC4H3Cl2NO3S
Molecular Weight216.04 g/mol
Exact Mass214.92
IUPAC Name4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride
SMILESCc1noc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C4H3Cl2NO3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3
InChIKeyIPWIBJUUFUIKSC-UHFFFAOYSA-N
XLogP1.56
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride (CID 125424429) is 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride is Cc1noc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride?
The InChIKey is IPWIBJUUFUIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NO3S/c1-2-3(5)4(10-7-2)11(6,8)9/h1H3.
What are the key properties of 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride?
4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride has a molecular weight of 216.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1,2-oxazole-5-sulfonyl chloride is sourced from PubChem (CID 125424429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).