2-methylnaphthalene-1-sulfonyl chloride

C11H9ClO2S — CID 18388568

IUPAC2-methylnaphthalene-1-sulfonyl chloride
SMILESCc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3
InChIKeyKRTQHSSAPOINBY-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.08
Rot. Bonds1

About 2-methylnaphthalene-1-sulfonyl chloride

2-methylnaphthalene-1-sulfonyl chloride (PubChem CID 18388568) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-methylnaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methylnaphthalene-1-sulfonyl chloride
PubChem CID18388568
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Name2-methylnaphthalene-1-sulfonyl chloride
SMILESCc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3
InChIKeyKRTQHSSAPOINBY-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 2-methylnaphthalene-1-sulfonyl chloride?
The IUPAC name of 2-methylnaphthalene-1-sulfonyl chloride (CID 18388568) is 2-methylnaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 2-methylnaphthalene-1-sulfonyl chloride?
The canonical SMILES for 2-methylnaphthalene-1-sulfonyl chloride is Cc1ccc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-methylnaphthalene-1-sulfonyl chloride?
The InChIKey is KRTQHSSAPOINBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3.
What are the key properties of 2-methylnaphthalene-1-sulfonyl chloride?
2-methylnaphthalene-1-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 2-methylnaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 18388568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).