7-amino-4-hydroxynaphthalene-2-sulfonate

C10H8NO4S- — CID 22096616

IUPAC7-amino-4-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)/p-1
InChIKeyKYARBIJYVGJZLB-UHFFFAOYSA-M
MW238.24 g/mol
LogP1.03
Rot. Bonds1

About 7-amino-4-hydroxynaphthalene-2-sulfonate

7-amino-4-hydroxynaphthalene-2-sulfonate (PubChem CID 22096616) has the molecular formula C10H8NO4S- and a molecular weight of 238.24 g/mol. Its IUPAC name is 7-amino-4-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Name7-amino-4-hydroxynaphthalene-2-sulfonate
PubChem CID22096616
Molecular FormulaC10H8NO4S-
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name7-amino-4-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)/p-1
InChIKeyKYARBIJYVGJZLB-UHFFFAOYSA-M
XLogP1.03
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

dipotassium;6-aminonaphthalene-1,3-disulfonate
CID 2762591
CID 87126465
CID 87126465
6-amino-4-hydroxynaphthalene-2-sulfonamide
CID 22766301
4,6-dihydroxynaphthalene-2-sulfonate
CID 19096570
sodium 6-amino-3-hydroxynaphthalene-1-sulfonate
CID 88746114
7-amino-4-hydroxynaphthalene-2-sulfonic acid;2-methoxy-4-methylbenzenesulfonic acid
CID 88689633
sodium 7-(ethoxycarbonylamino)-4-hydroxynaphthalene-2-sulfonate
CID 139597197
6-amino-3-sulfonaphthalen-1-olate
CID 163421905
CID 87753732
CID 87753732
disodium;6-amino-4-hydroxy-3-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
CID 165363630
disodium;4-amino-3-hydroxynaphthalene-2,7-disulfonate
CID 16176
sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135482633

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-hydroxynaphthalene-2-sulfonate?
The IUPAC name of 7-amino-4-hydroxynaphthalene-2-sulfonate (CID 22096616) is 7-amino-4-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for 7-amino-4-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for 7-amino-4-hydroxynaphthalene-2-sulfonate is Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.
What is the InChIKey of 7-amino-4-hydroxynaphthalene-2-sulfonate?
The InChIKey is KYARBIJYVGJZLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)/p-1.
What are the key properties of 7-amino-4-hydroxynaphthalene-2-sulfonate?
7-amino-4-hydroxynaphthalene-2-sulfonate has a molecular weight of 238.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 22096616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).