2-chloro-5-ethylsulfonyl-1,3-benzoxazole

C9H8ClNO3S — CID 58906316

IUPAC2-chloro-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C9H8ClNO3S/c1-2-15(12,13)6-3-4-8-7(5-6)11-9(10)14-8/h3-5H,2H2,1H3
InChIKeyQRYNXFLWUARDHS-UHFFFAOYSA-N
MW245.69 g/mol
LogP2.27
Rot. Bonds2

About 2-chloro-5-ethylsulfonyl-1,3-benzoxazole

2-chloro-5-ethylsulfonyl-1,3-benzoxazole (PubChem CID 58906316) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-chloro-5-ethylsulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-5-ethylsulfonyl-1,3-benzoxazole
PubChem CID58906316
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name2-chloro-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C9H8ClNO3S/c1-2-15(12,13)6-3-4-8-7(5-6)11-9(10)14-8/h3-5H,2H2,1H3
InChIKeyQRYNXFLWUARDHS-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 ≤ 500245.69
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-ethylsulfonyl-1,3-benzoxazole 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-chloro-5-ethylsulfonyl-1,3-benzoxazole?
The IUPAC name of 2-chloro-5-ethylsulfonyl-1,3-benzoxazole (CID 58906316) is 2-chloro-5-ethylsulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-5-ethylsulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-chloro-5-ethylsulfonyl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(Cl)nc2c1.
What is the InChIKey of 2-chloro-5-ethylsulfonyl-1,3-benzoxazole?
The InChIKey is QRYNXFLWUARDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-15(12,13)6-3-4-8-7(5-6)11-9(10)14-8/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-5-ethylsulfonyl-1,3-benzoxazole?
2-chloro-5-ethylsulfonyl-1,3-benzoxazole has a molecular weight of 245.69 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-chloro-5-ethylsulfonyl-1,3-benzoxazole is sourced from PubChem (CID 58906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).