5-methylnaphthalene-2-sulfonyl chloride

C11H9ClO2S — CID 55280265

IUPAC5-methylnaphthalene-2-sulfonyl chloride
SMILESCc1cccc2cc(S(=O)(=O)Cl)ccc12
InChIInChI=1S/C11H9ClO2S/c1-8-3-2-4-9-7-10(15(12,13)14)5-6-11(8)9/h2-7H,1H3
InChIKeyVCOCWWAFBPGKCF-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.08
Rot. Bonds1

About 5-methylnaphthalene-2-sulfonyl chloride

5-methylnaphthalene-2-sulfonyl chloride (PubChem CID 55280265) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is 5-methylnaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methylnaphthalene-2-sulfonyl chloride
PubChem CID55280265
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Name5-methylnaphthalene-2-sulfonyl chloride
SMILESCc1cccc2cc(S(=O)(=O)Cl)ccc12
InChIInChI=1S/C11H9ClO2S/c1-8-3-2-4-9-7-10(15(12,13)14)5-6-11(8)9/h2-7H,1H3
InChIKeyVCOCWWAFBPGKCF-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylnaphthalene-2-sulfonyl chloride?
The IUPAC name of 5-methylnaphthalene-2-sulfonyl chloride (CID 55280265) is 5-methylnaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 5-methylnaphthalene-2-sulfonyl chloride?
The canonical SMILES for 5-methylnaphthalene-2-sulfonyl chloride is Cc1cccc2cc(S(=O)(=O)Cl)ccc12.
What is the InChIKey of 5-methylnaphthalene-2-sulfonyl chloride?
The InChIKey is VCOCWWAFBPGKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S/c1-8-3-2-4-9-7-10(15(12,13)14)5-6-11(8)9/h2-7H,1H3.
What are the key properties of 5-methylnaphthalene-2-sulfonyl chloride?
5-methylnaphthalene-2-sulfonyl chloride has a molecular weight of 240.71 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 55280265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).