6-amino-8-nitronaphthalene-2-sulfonic acid

C10H8N2O5S — CID 118985201

IUPAC6-amino-8-nitronaphthalene-2-sulfonic acid
SMILESNc1cc([N+](=O)[O-])c2cc(S(=O)(=O)O)ccc2c1
InChIInChI=1S/C10H8N2O5S/c11-7-3-6-1-2-8(18(15,16)17)5-9(6)10(4-7)12(13)14/h1-5H,11H2,(H,15,16,17)
InChIKeyBQEQSDAFAVLEQR-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.58
Rot. Bonds2

About 6-amino-8-nitronaphthalene-2-sulfonic acid

6-amino-8-nitronaphthalene-2-sulfonic acid (PubChem CID 118985201) has the molecular formula C10H8N2O5S and a molecular weight of 268.25 g/mol. Its IUPAC name is 6-amino-8-nitronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-amino-8-nitronaphthalene-2-sulfonic acid
PubChem CID118985201
Molecular FormulaC10H8N2O5S
Molecular Weight268.25 g/mol
Exact Mass268.02
IUPAC Name6-amino-8-nitronaphthalene-2-sulfonic acid
SMILESNc1cc([N+](=O)[O-])c2cc(S(=O)(=O)O)ccc2c1
InChIInChI=1S/C10H8N2O5S/c11-7-3-6-1-2-8(18(15,16)17)5-9(6)10(4-7)12(13)14/h1-5H,11H2,(H,15,16,17)
InChIKeyBQEQSDAFAVLEQR-UHFFFAOYSA-N
XLogP1.58
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dinitrobenzenesulfonic acid
CID 21271067
4-amino-3,5-dinitrobenzenesulfonic acid
CID 3562834
lithium;hydride;8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
CID 173446048
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427
CID 87753732
CID 87753732
4-(4-amino-N-hydroxyanilino)-3-nitrobenzenesulfonic acid
CID 143039034
disodium bis(2-nitro-5-sulfobenzoate)
CID 166065535
2-amino-4-(2-nitro-4-sulfoanilino)benzenesulfonic acid
CID 88722805
sodium 8-nitronaphthalene-1,3,6-trisulfonic acid
CID 54609415
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
CID 57310744
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
potassium 4-chloro-3,5-dinitrobenzenesulfonic acid
CID 54600157

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-nitronaphthalene-2-sulfonic acid?
The IUPAC name of 6-amino-8-nitronaphthalene-2-sulfonic acid (CID 118985201) is 6-amino-8-nitronaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-amino-8-nitronaphthalene-2-sulfonic acid?
The canonical SMILES for 6-amino-8-nitronaphthalene-2-sulfonic acid is Nc1cc([N+](=O)[O-])c2cc(S(=O)(=O)O)ccc2c1.
What is the InChIKey of 6-amino-8-nitronaphthalene-2-sulfonic acid?
The InChIKey is BQEQSDAFAVLEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5S/c11-7-3-6-1-2-8(18(15,16)17)5-9(6)10(4-7)12(13)14/h1-5H,11H2,(H,15,16,17).
What are the key properties of 6-amino-8-nitronaphthalene-2-sulfonic acid?
6-amino-8-nitronaphthalene-2-sulfonic acid has a molecular weight of 268.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-nitronaphthalene-2-sulfonic acid is sourced from PubChem (CID 118985201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).