3-methoxynaphthalene-2-sulfonyl chloride

C11H9ClO3S — CID 154213154

IUPAC3-methoxynaphthalene-2-sulfonyl chloride
SMILESCOc1cc2ccccc2cc1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO3S/c1-15-10-6-8-4-2-3-5-9(8)7-11(10)16(12,13)14/h2-7H,1H3
InChIKeyBNASEVJRZNCLFF-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.78
Rot. Bonds2

About 3-methoxynaphthalene-2-sulfonyl chloride

3-methoxynaphthalene-2-sulfonyl chloride (PubChem CID 154213154) has the molecular formula C11H9ClO3S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-methoxynaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxynaphthalene-2-sulfonyl chloride
PubChem CID154213154
Molecular FormulaC11H9ClO3S
Molecular Weight256.71 g/mol
Exact Mass256.00
IUPAC Name3-methoxynaphthalene-2-sulfonyl chloride
SMILESCOc1cc2ccccc2cc1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO3S/c1-15-10-6-8-4-2-3-5-9(8)7-11(10)16(12,13)14/h2-7H,1H3
InChIKeyBNASEVJRZNCLFF-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxynaphthalene-2-sulfonyl chloride?
The IUPAC name of 3-methoxynaphthalene-2-sulfonyl chloride (CID 154213154) is 3-methoxynaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 3-methoxynaphthalene-2-sulfonyl chloride?
The canonical SMILES for 3-methoxynaphthalene-2-sulfonyl chloride is COc1cc2ccccc2cc1S(=O)(=O)Cl.
What is the InChIKey of 3-methoxynaphthalene-2-sulfonyl chloride?
The InChIKey is BNASEVJRZNCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3S/c1-15-10-6-8-4-2-3-5-9(8)7-11(10)16(12,13)14/h2-7H,1H3.
What are the key properties of 3-methoxynaphthalene-2-sulfonyl chloride?
3-methoxynaphthalene-2-sulfonyl chloride has a molecular weight of 256.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxynaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 154213154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).