4-amino-3-hydroxynaphthalene-1-sulfonic acid

C10H9NO4S — CID 8316

IUPAC4-amino-3-hydroxynaphthalene-1-sulfonic acid
SMILESNc1c(O)cc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKeyRXCMFQDTWCCLBL-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.37
Rot. Bonds1

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

4-amino-3-hydroxynaphthalene-1-sulfonic acid (PubChem CID 8316) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-amino-3-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-3-hydroxynaphthalene-1-sulfonic acid
PubChem CID8316
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name4-amino-3-hydroxynaphthalene-1-sulfonic acid
SMILESNc1c(O)cc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKeyRXCMFQDTWCCLBL-UHFFFAOYSA-N
XLogP1.37
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

C.I. Acid Orange 7
CID 135442941
1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-
CID 19098
C.I. Acid Orange 10
CID 16015
FD&C yellow 6
CID 17730
2-Amino-8-hydroxynaphthalene-6-sulfonic acid
CID 7022
1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-
CID 6752
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-
CID 3246023
8-Amino-4-hydroxynaphthalene-2-sulphonic acid
CID 68106
1-Naphthalenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CID 15454
1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-, monosodium salt
CID 135465074
6-Hydroxy-5-(4-sulfophenylazo)-2-naphthalenesulfonic acid
CID 17731
3-Hydroxy-4-(6-hydroxy-m-tolylazo)naphthalene-1-sulphonic acid
CID 2530

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 4-amino-3-hydroxynaphthalene-1-sulfonic acid (CID 8316) is 4-amino-3-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 4-amino-3-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 4-amino-3-hydroxynaphthalene-1-sulfonic acid is Nc1c(O)cc(S(=O)(=O)O)c2ccccc12.
What is the InChIKey of 4-amino-3-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is RXCMFQDTWCCLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15).
What are the key properties of 4-amino-3-hydroxynaphthalene-1-sulfonic acid?
4-amino-3-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 239.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 8316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).