4-ethoxynaphthalene-1-sulfonyl chloride

C12H11ClO3S — CID 16772030

IUPAC4-ethoxynaphthalene-1-sulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)c2ccccc12
InChIInChI=1S/C12H11ClO3S/c1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyUMUUBVDEZWLVED-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.17
Rot. Bonds3

About 4-ethoxynaphthalene-1-sulfonyl chloride

4-ethoxynaphthalene-1-sulfonyl chloride (PubChem CID 16772030) has the molecular formula C12H11ClO3S and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-ethoxynaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-ethoxynaphthalene-1-sulfonyl chloride
PubChem CID16772030
Molecular FormulaC12H11ClO3S
Molecular Weight270.74 g/mol
Exact Mass270.01
IUPAC Name4-ethoxynaphthalene-1-sulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)c2ccccc12
InChIInChI=1S/C12H11ClO3S/c1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3
InChIKeyUMUUBVDEZWLVED-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxynaphthalene-1-sulfonyl chloride?
The IUPAC name of 4-ethoxynaphthalene-1-sulfonyl chloride (CID 16772030) is 4-ethoxynaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-ethoxynaphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-ethoxynaphthalene-1-sulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)c2ccccc12.
What is the InChIKey of 4-ethoxynaphthalene-1-sulfonyl chloride?
The InChIKey is UMUUBVDEZWLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3S/c1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3.
What are the key properties of 4-ethoxynaphthalene-1-sulfonyl chloride?
4-ethoxynaphthalene-1-sulfonyl chloride has a molecular weight of 270.74 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxynaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 16772030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).