2-(1,2-oxazol-4-yl)benzenesulfonyl chloride

C9H6ClNO3S — CID 13489812

IUPAC2-(1,2-oxazol-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1-c1cnoc1
InChIInChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-8(9)7-5-11-14-6-7/h1-6H
InChIKeyHIJGTLBKCFNWSK-UHFFFAOYSA-N
MW243.67 g/mol
LogP2.27
Rot. Bonds2

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

2-(1,2-oxazol-4-yl)benzenesulfonyl chloride (PubChem CID 13489812) has the molecular formula C9H6ClNO3S and a molecular weight of 243.67 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(1,2-oxazol-4-yl)benzenesulfonyl chloride
PubChem CID13489812
Molecular FormulaC9H6ClNO3S
Molecular Weight243.67 g/mol
Exact Mass242.98
IUPAC Name2-(1,2-oxazol-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1-c1cnoc1
InChIInChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-8(9)7-5-11-14-6-7/h1-6H
InChIKeyHIJGTLBKCFNWSK-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

Analyze 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride?
The IUPAC name of 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride (CID 13489812) is 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1-c1cnoc1.
What is the InChIKey of 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride?
The InChIKey is HIJGTLBKCFNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-8(9)7-5-11-14-6-7/h1-6H.
What are the key properties of 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride?
2-(1,2-oxazol-4-yl)benzenesulfonyl 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 2-(1,2-oxazol-4-yl)benzenesulfonyl chloride is sourced from PubChem (CID 13489812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).