4-bromo-1-hydroxynaphthalene-2-sulfonic acid

C10H7BrO4S — CID 88757992

IUPAC4-bromo-1-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C10H7BrO4S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5,12H,(H,13,14,15)
InChIKeyLFAMPRVRPVOVOF-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.55
Rot. Bonds1

About 4-bromo-1-hydroxynaphthalene-2-sulfonic acid

4-bromo-1-hydroxynaphthalene-2-sulfonic acid (PubChem CID 88757992) has the molecular formula C10H7BrO4S and a molecular weight of 303.13 g/mol. Its IUPAC name is 4-bromo-1-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-bromo-1-hydroxynaphthalene-2-sulfonic acid
PubChem CID88757992
Molecular FormulaC10H7BrO4S
Molecular Weight303.13 g/mol
Exact Mass301.92
IUPAC Name4-bromo-1-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C10H7BrO4S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5,12H,(H,13,14,15)
InChIKeyLFAMPRVRPVOVOF-UHFFFAOYSA-N
XLogP2.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dihydroxynaphthalene-2-sulfonamide
CID 91023096
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
3,5-dibromonaphthalene-1-sulfonic acid
CID 141427392
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173284943
3-cyano-4-hydroxynaphthalene-1-sulfonic acid
CID 154164129
3-acetyl-4-hydroxynaphthalene-1-sulfonic acid
CID 121013601
4-hydroxy-3-nitronaphthalene-1-sulfonic acid
CID 3018258
CID 173174462
CID 173174462
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
sodium;2,5-dibromo-4-phenylbenzenesulfonic acid;hydride
CID 173085882
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 4-bromo-1-hydroxynaphthalene-2-sulfonic acid (CID 88757992) is 4-bromo-1-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 4-bromo-1-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 4-bromo-1-hydroxynaphthalene-2-sulfonic acid is O=S(=O)(O)c1cc(Br)c2ccccc2c1O.
What is the InChIKey of 4-bromo-1-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is LFAMPRVRPVOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO4S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5,12H,(H,13,14,15).
What are the key properties of 4-bromo-1-hydroxynaphthalene-2-sulfonic acid?
4-bromo-1-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 303.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 88757992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).