3-chloro-4-hydroxynaphthalene-1-sulfonic acid

C10H7ClO4S — CID 87294713

IUPAC3-chloro-4-hydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C10H7ClO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,(H,13,14,15)
InChIKeyUXVCRHNICBQHFZ-UHFFFAOYSA-N
MW258.68 g/mol
LogP2.45
Rot. Bonds1

About 3-chloro-4-hydroxynaphthalene-1-sulfonic acid

3-chloro-4-hydroxynaphthalene-1-sulfonic acid (PubChem CID 87294713) has the molecular formula C10H7ClO4S and a molecular weight of 258.68 g/mol. Its IUPAC name is 3-chloro-4-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3-chloro-4-hydroxynaphthalene-1-sulfonic acid
PubChem CID87294713
Molecular FormulaC10H7ClO4S
Molecular Weight258.68 g/mol
Exact Mass257.98
IUPAC Name3-chloro-4-hydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C10H7ClO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,(H,13,14,15)
InChIKeyUXVCRHNICBQHFZ-UHFFFAOYSA-N
XLogP2.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 52.45
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

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
4-bromo-1-hydroxynaphthalene-2-sulfonic acid
CID 88757992
N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
CID 58565693
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
3-bromo-2,5-dichloro-4-hydroxybenzenesulfonic acid
CID 141308548
3-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 135727413
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
CID 58565692
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
CID 21256239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 3-chloro-4-hydroxynaphthalene-1-sulfonic acid (CID 87294713) is 3-chloro-4-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 3-chloro-4-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 3-chloro-4-hydroxynaphthalene-1-sulfonic acid is O=S(=O)(O)c1cc(Cl)c(O)c2ccccc12.
What is the InChIKey of 3-chloro-4-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is UXVCRHNICBQHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,(H,13,14,15).
What are the key properties of 3-chloro-4-hydroxynaphthalene-1-sulfonic acid?
3-chloro-4-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 258.68 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 87294713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).