5-chloro-6-methylnaphthalene-2-sulfonic acid

C11H9ClO3S — CID 66519781

IUPAC5-chloro-6-methylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2c1Cl
InChIInChI=1S/C11H9ClO3S/c1-7-2-3-8-6-9(16(13,14)15)4-5-10(8)11(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyCYUVDYGJRSZRQX-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.05
Rot. Bonds1

About 5-chloro-6-methylnaphthalene-2-sulfonic acid

5-chloro-6-methylnaphthalene-2-sulfonic acid (PubChem CID 66519781) has the molecular formula C11H9ClO3S and a molecular weight of 256.71 g/mol. Its IUPAC name is 5-chloro-6-methylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-chloro-6-methylnaphthalene-2-sulfonic acid
PubChem CID66519781
Molecular FormulaC11H9ClO3S
Molecular Weight256.71 g/mol
Exact Mass256.00
IUPAC Name5-chloro-6-methylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2c1Cl
InChIInChI=1S/C11H9ClO3S/c1-7-2-3-8-6-9(16(13,14)15)4-5-10(8)11(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeyCYUVDYGJRSZRQX-UHFFFAOYSA-N
XLogP3.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium;3-chloro-4-methylbenzenesulfonic acid;hydride
CID 173480184
naphthalene-2,3,6-trisulfonic acid
CID 42609669
3,4-dimethylbenzenesulfonic acid;hydrate
CID 155773835
3,4-dimethylbenzenesulfonic acid;iron
CID 174654800
4-(methanesulfonamido)naphthalene-2,7-disulfonic acid
CID 58792546
6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine
CID 142938237
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
CID 20736921
calcium;3,4-dimethylbenzenesulfonic acid;hydride
CID 173320059
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427
6-methyl-7-(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid
CID 21363114
3-[(5-hydroxy-6-methylnaphthalen-2-yl)sulfonylamino]benzenesulfonic acid
CID 21022707
CID 87126465
CID 87126465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylnaphthalene-2-sulfonic acid?
The IUPAC name of 5-chloro-6-methylnaphthalene-2-sulfonic acid (CID 66519781) is 5-chloro-6-methylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-chloro-6-methylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5-chloro-6-methylnaphthalene-2-sulfonic acid is Cc1ccc2cc(S(=O)(=O)O)ccc2c1Cl.
What is the InChIKey of 5-chloro-6-methylnaphthalene-2-sulfonic acid?
The InChIKey is CYUVDYGJRSZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3S/c1-7-2-3-8-6-9(16(13,14)15)4-5-10(8)11(7)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-chloro-6-methylnaphthalene-2-sulfonic acid?
5-chloro-6-methylnaphthalene-2-sulfonic acid has a molecular weight of 256.71 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 66519781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).