4-amino-5-chloronaphthalene-1-sulfonic acid

C10H8ClNO3S — CID 130155184

IUPAC4-amino-5-chloronaphthalene-1-sulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2cccc(Cl)c12
InChIInChI=1S/C10H8ClNO3S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5H,12H2,(H,13,14,15)
InChIKeyVEJHEJBGLHBWEO-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.32
Rot. Bonds1

About 4-amino-5-chloronaphthalene-1-sulfonic acid

4-amino-5-chloronaphthalene-1-sulfonic acid (PubChem CID 130155184) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 4-amino-5-chloronaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-5-chloronaphthalene-1-sulfonic acid
PubChem CID130155184
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name4-amino-5-chloronaphthalene-1-sulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2cccc(Cl)c12
InChIInChI=1S/C10H8ClNO3S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5H,12H2,(H,13,14,15)
InChIKeyVEJHEJBGLHBWEO-UHFFFAOYSA-N
XLogP2.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
4-aminonaphthalene-1-sulfonic acid
CID 6790
disodium;hydride;perylene-3,10-disulfonic acid
CID 173363289
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
CID 86234936
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
4-(2,6-dichlorobenzoyl)naphthalene-1-sulfonic acid
CID 139945334
sodium 4-amino-5-hydroxynaphthalene-1-sulfonate
CID 165020486
4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
CID 19768160
8-amino-4-chloronaphthalene-1-sulfonic acid;4-aminonaphthalene-1-sulfonic acid;9-chloro-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-5-amine;9-chloro-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene 2,2-dioxide;4-chloronaphthalene-1-sulfonic acid
CID 159018946
trisodium;8-aminonaphthalene-1,3,5-trisulfonic acid;hydride
CID 173300680

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloronaphthalene-1-sulfonic acid?
The IUPAC name of 4-amino-5-chloronaphthalene-1-sulfonic acid (CID 130155184) is 4-amino-5-chloronaphthalene-1-sulfonic acid.
What is the SMILES notation for 4-amino-5-chloronaphthalene-1-sulfonic acid?
The canonical SMILES for 4-amino-5-chloronaphthalene-1-sulfonic acid is Nc1ccc(S(=O)(=O)O)c2cccc(Cl)c12.
What is the InChIKey of 4-amino-5-chloronaphthalene-1-sulfonic acid?
The InChIKey is VEJHEJBGLHBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5H,12H2,(H,13,14,15).
What are the key properties of 4-amino-5-chloronaphthalene-1-sulfonic acid?
4-amino-5-chloronaphthalene-1-sulfonic acid has a molecular weight of 257.70 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloronaphthalene-1-sulfonic acid is sourced from PubChem (CID 130155184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).