4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride

C13H12ClNO3S — CID 56723881

IUPAC4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C13H12ClNO3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2
InChIKeyJYPOIFIUGMSLJZ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.54
Rot. Bonds3

About 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride

4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride (PubChem CID 56723881) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
PubChem CID56723881
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cnc(C3CCC3)o2)cc1
InChIInChI=1S/C13H12ClNO3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2
InChIKeyJYPOIFIUGMSLJZ-UHFFFAOYSA-N
XLogP3.54
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride (CID 56723881) is 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2cnc(C3CCC3)o2)cc1.
What is the InChIKey of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride?
The InChIKey is JYPOIFIUGMSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2.
What are the key properties of 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride?
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride has a molecular weight of 297.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride is sourced from PubChem (CID 56723881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).