3-phenyl-1,2-oxazole-5-sulfonyl chloride

C9H6ClNO3S — CID 13494478

IUPAC3-phenyl-1,2-oxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)no1
InChIInChI=1S/C9H6ClNO3S/c10-15(12,13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyNCKNGGKOOAPRLL-UHFFFAOYSA-N
MW243.67 g/mol
LogP2.27
Rot. Bonds2

About 3-phenyl-1,2-oxazole-5-sulfonyl chloride

3-phenyl-1,2-oxazole-5-sulfonyl chloride (PubChem CID 13494478) has the molecular formula C9H6ClNO3S and a molecular weight of 243.67 g/mol. Its IUPAC name is 3-phenyl-1,2-oxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-phenyl-1,2-oxazole-5-sulfonyl chloride
PubChem CID13494478
Molecular FormulaC9H6ClNO3S
Molecular Weight243.67 g/mol
Exact Mass242.98
IUPAC Name3-phenyl-1,2-oxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)no1
InChIInChI=1S/C9H6ClNO3S/c10-15(12,13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyNCKNGGKOOAPRLL-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-oxazole-5-sulfonyl chloride?
The IUPAC name of 3-phenyl-1,2-oxazole-5-sulfonyl chloride (CID 13494478) is 3-phenyl-1,2-oxazole-5-sulfonyl chloride.
What is the SMILES notation for 3-phenyl-1,2-oxazole-5-sulfonyl chloride?
The canonical SMILES for 3-phenyl-1,2-oxazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-1,2-oxazole-5-sulfonyl chloride?
The InChIKey is NCKNGGKOOAPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S/c10-15(12,13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-phenyl-1,2-oxazole-5-sulfonyl chloride?
3-phenyl-1,2-oxazole-5-sulfonyl chloride has a molecular weight of 243.67 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-oxazole-5-sulfonyl chloride is sourced from PubChem (CID 13494478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).