2-bromonaphthalene-1-sulfonic acid

C10H7BrO3S — CID 4608659

IUPAC2-bromonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C10H7BrO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,(H,12,13,14)
InChIKeyDUGQDRDXECYHOT-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.85
Rot. Bonds1

About 2-bromonaphthalene-1-sulfonic acid

2-bromonaphthalene-1-sulfonic acid (PubChem CID 4608659) has the molecular formula C10H7BrO3S and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-bromonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-bromonaphthalene-1-sulfonic acid
PubChem CID4608659
Molecular FormulaC10H7BrO3S
Molecular Weight287.13 g/mol
Exact Mass285.93
IUPAC Name2-bromonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C10H7BrO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,(H,12,13,14)
InChIKeyDUGQDRDXECYHOT-UHFFFAOYSA-N
XLogP2.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-bromonaphthalene-1-sulfonic acid?
The IUPAC name of 2-bromonaphthalene-1-sulfonic acid (CID 4608659) is 2-bromonaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-bromonaphthalene-1-sulfonic acid?
The canonical SMILES for 2-bromonaphthalene-1-sulfonic acid is O=S(=O)(O)c1c(Br)ccc2ccccc12.
What is the InChIKey of 2-bromonaphthalene-1-sulfonic acid?
The InChIKey is DUGQDRDXECYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,(H,12,13,14).
What are the key properties of 2-bromonaphthalene-1-sulfonic acid?
2-bromonaphthalene-1-sulfonic acid has a molecular weight of 287.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphthalene-1-sulfonic acid is sourced from PubChem (CID 4608659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).