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

C5H5Cl2NO3S — CID 125426354

IUPAC4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride
SMILESCCc1noc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C5H5Cl2NO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3
InChIKeyZRHMKJKGZVVVCZ-UHFFFAOYSA-N
MW230.07 g/mol
LogP1.82
Rot. Bonds2

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

4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride (PubChem CID 125426354) has the molecular formula C5H5Cl2NO3S and a molecular weight of 230.07 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride
PubChem CID125426354
Molecular FormulaC5H5Cl2NO3S
Molecular Weight230.07 g/mol
Exact Mass228.94
IUPAC Name4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride
SMILESCCc1noc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C5H5Cl2NO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3
InChIKeyZRHMKJKGZVVVCZ-UHFFFAOYSA-N
XLogP1.82
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 165459964
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CID 165459965
CID 165459965
CID 165748654
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CID 165870642
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CID 165870649
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CID 165871060
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CID 165872633
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CID 165922173
CID 165922173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride (CID 125426354) is 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride is CCc1noc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride?
The InChIKey is ZRHMKJKGZVVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO3S/c1-2-3-4(6)5(11-8-3)12(7,9)10/h2H2,1H3.
What are the key properties of 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride?
4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride has a molecular weight of 230.07 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1,2-oxazole-5-sulfonyl chloride is sourced from PubChem (CID 125426354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).