2-methoxynaphthalene-1-sulfonyl chloride

C11H9ClO3S — CID 71331422

IUPAC2-methoxynaphthalene-1-sulfonyl chloride
SMILESCOc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO3S/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)16(12,13)14/h2-7H,1H3
InChIKeyCEGNBSMSFPXEET-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.78
Rot. Bonds2

About 2-methoxynaphthalene-1-sulfonyl chloride

2-methoxynaphthalene-1-sulfonyl chloride (PubChem CID 71331422) has the molecular formula C11H9ClO3S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-methoxynaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxynaphthalene-1-sulfonyl chloride
PubChem CID71331422
Molecular FormulaC11H9ClO3S
Molecular Weight256.71 g/mol
Exact Mass256.00
IUPAC Name2-methoxynaphthalene-1-sulfonyl chloride
SMILESCOc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO3S/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)16(12,13)14/h2-7H,1H3
InChIKeyCEGNBSMSFPXEET-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 2-methoxynaphthalene-1-sulfonyl chloride?
The IUPAC name of 2-methoxynaphthalene-1-sulfonyl chloride (CID 71331422) is 2-methoxynaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxynaphthalene-1-sulfonyl chloride?
The canonical SMILES for 2-methoxynaphthalene-1-sulfonyl chloride is COc1ccc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxynaphthalene-1-sulfonyl chloride?
The InChIKey is CEGNBSMSFPXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3S/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)16(12,13)14/h2-7H,1H3.
What are the key properties of 2-methoxynaphthalene-1-sulfonyl chloride?
2-methoxynaphthalene-1-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 2-methoxynaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 71331422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).