6,7-dimethoxynaphthalene-2-sulfonyl chloride

C12H11ClO4S — CID 14457754

IUPAC6,7-dimethoxynaphthalene-2-sulfonyl chloride
SMILESCOc1cc2ccc(S(=O)(=O)Cl)cc2cc1OC
InChIInChI=1S/C12H11ClO4S/c1-16-11-6-8-3-4-10(18(13,14)15)5-9(8)7-12(11)17-2/h3-7H,1-2H3
InChIKeyWTUCGFYIXJREBR-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.78
Rot. Bonds3

About 6,7-dimethoxynaphthalene-2-sulfonyl chloride

6,7-dimethoxynaphthalene-2-sulfonyl chloride (PubChem CID 14457754) has the molecular formula C12H11ClO4S and a molecular weight of 286.74 g/mol. Its IUPAC name is 6,7-dimethoxynaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name6,7-dimethoxynaphthalene-2-sulfonyl chloride
PubChem CID14457754
Molecular FormulaC12H11ClO4S
Molecular Weight286.74 g/mol
Exact Mass286.01
IUPAC Name6,7-dimethoxynaphthalene-2-sulfonyl chloride
SMILESCOc1cc2ccc(S(=O)(=O)Cl)cc2cc1OC
InChIInChI=1S/C12H11ClO4S/c1-16-11-6-8-3-4-10(18(13,14)15)5-9(8)7-12(11)17-2/h3-7H,1-2H3
InChIKeyWTUCGFYIXJREBR-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxynaphthalene-2-sulfonyl chloride?
The IUPAC name of 6,7-dimethoxynaphthalene-2-sulfonyl chloride (CID 14457754) is 6,7-dimethoxynaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 6,7-dimethoxynaphthalene-2-sulfonyl chloride?
The canonical SMILES for 6,7-dimethoxynaphthalene-2-sulfonyl chloride is COc1cc2ccc(S(=O)(=O)Cl)cc2cc1OC.
What is the InChIKey of 6,7-dimethoxynaphthalene-2-sulfonyl chloride?
The InChIKey is WTUCGFYIXJREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO4S/c1-16-11-6-8-3-4-10(18(13,14)15)5-9(8)7-12(11)17-2/h3-7H,1-2H3.
What are the key properties of 6,7-dimethoxynaphthalene-2-sulfonyl chloride?
6,7-dimethoxynaphthalene-2-sulfonyl chloride has a molecular weight of 286.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxynaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 14457754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).