2-ethyl-1,3-benzoxazole-5-sulfonyl chloride

C9H8ClNO3S — CID 60812524

IUPAC2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
SMILESCCc1nc2cc(S(=O)(=O)Cl)ccc2o1
InChIInChI=1S/C9H8ClNO3S/c1-2-9-11-7-5-6(15(10,12)13)3-4-8(7)14-9/h3-5H,2H2,1H3
InChIKeyLKWUMIFXOVBJJM-UHFFFAOYSA-N
MW245.69 g/mol
LogP2.32
Rot. Bonds2

About 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride

2-ethyl-1,3-benzoxazole-5-sulfonyl chloride (PubChem CID 60812524) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
PubChem CID60812524
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
SMILESCCc1nc2cc(S(=O)(=O)Cl)ccc2o1
InChIInChI=1S/C9H8ClNO3S/c1-2-9-11-7-5-6(15(10,12)13)3-4-8(7)14-9/h3-5H,2H2,1H3
InChIKeyLKWUMIFXOVBJJM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride?
The IUPAC name of 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride (CID 60812524) is 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride is CCc1nc2cc(S(=O)(=O)Cl)ccc2o1.
What is the InChIKey of 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride?
The InChIKey is LKWUMIFXOVBJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-9-11-7-5-6(15(10,12)13)3-4-8(7)14-9/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride?
2-ethyl-1,3-benzoxazole-5-sulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride is sourced from PubChem (CID 60812524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).