6-amino-3-sulfonaphthalen-1-olate

C10H8NO4S- — CID 163421905

IUPAC6-amino-3-sulfonaphthalen-1-olate
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
LogP0.74
Rot. Bonds1

About 6-amino-3-sulfonaphthalen-1-olate

6-amino-3-sulfonaphthalen-1-olate (PubChem CID 163421905) has the molecular formula C10H8NO4S- and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-amino-3-sulfonaphthalen-1-olate.

Molecular Properties

Compound Name6-amino-3-sulfonaphthalen-1-olate
PubChem CID163421905
Molecular FormulaC10H8NO4S-
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name6-amino-3-sulfonaphthalen-1-olate
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
XLogP0.74
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

7-amino-4-methylnaphthalene-2-sulfonic acid;ethane
CID 144520469
CID 87753732
CID 87753732
sodium 3-sulfonaphthalen-1-olate
CID 101310118
7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
CID 87126465
CID 87126465
7-amino-4-hydroxynaphthalene-2-sulfonate
CID 22096616
4-aminobenzenesulfonic acid;copper
CID 174792931
7-amino-4-(3-methylsulfonylprop-2-enoyloxy)naphthalene-2-sulfonic acid
CID 57281712
dipotassium;6-aminonaphthalene-1,3-disulfonate
CID 2762591
CID 137180855
CID 137180855
potassium 5-amino-2-sulfophenolate
CID 101303999
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-sulfonaphthalen-1-olate?
The IUPAC name of 6-amino-3-sulfonaphthalen-1-olate (CID 163421905) is 6-amino-3-sulfonaphthalen-1-olate.
What is the SMILES notation for 6-amino-3-sulfonaphthalen-1-olate?
The canonical SMILES for 6-amino-3-sulfonaphthalen-1-olate is Nc1ccc2c([O-])cc(S(=O)(=O)O)cc2c1.
What is the InChIKey of 6-amino-3-sulfonaphthalen-1-olate?
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 6-amino-3-sulfonaphthalen-1-olate?
6-amino-3-sulfonaphthalen-1-olate has a molecular weight of 238.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-sulfonaphthalen-1-olate is sourced from PubChem (CID 163421905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).