3-amino-5-sulfonaphthalene-1-sulfonate

C10H8NO6S2- — CID 5143627

IUPAC3-amino-5-sulfonaphthalene-1-sulfonate
SMILESNc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)/p-1
InChIKeyMTJGVAJYTOXFJH-UHFFFAOYSA-M
MW302.31 g/mol
LogP0.57
Rot. Bonds2

About 3-amino-5-sulfonaphthalene-1-sulfonate

3-amino-5-sulfonaphthalene-1-sulfonate (PubChem CID 5143627) has the molecular formula C10H8NO6S2- and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-amino-5-sulfonaphthalene-1-sulfonate.

Molecular Properties

Compound Name3-amino-5-sulfonaphthalene-1-sulfonate
PubChem CID5143627
Molecular FormulaC10H8NO6S2-
Molecular Weight302.31 g/mol
Exact Mass301.98
IUPAC Name3-amino-5-sulfonaphthalene-1-sulfonate
SMILESNc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)/p-1
InChIKeyMTJGVAJYTOXFJH-UHFFFAOYSA-M
XLogP0.57
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
CID 173209773
5-sulfonaphthalene-1-sulfonate
CID 3517121
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
CID 5338245
3-methylnaphthalene-1,5-disulfonate
CID 58611257
dilithium;3-methylnaphthalene-1,5-disulfonate
CID 140636726
tripotassium;naphthalene-1,3,5-trisulfonate
CID 22486367
2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
CID 19908751
disodium;4-aminonaphthalene-1,3-disulfonate
CID 101310208
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
trisodium;5-aminobenzene-1,2,3-trisulfonate
CID 101305558

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-sulfonaphthalene-1-sulfonate?
The IUPAC name of 3-amino-5-sulfonaphthalene-1-sulfonate (CID 5143627) is 3-amino-5-sulfonaphthalene-1-sulfonate.
What is the SMILES notation for 3-amino-5-sulfonaphthalene-1-sulfonate?
The canonical SMILES for 3-amino-5-sulfonaphthalene-1-sulfonate is Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)O)c2c1.
What is the InChIKey of 3-amino-5-sulfonaphthalene-1-sulfonate?
The InChIKey is MTJGVAJYTOXFJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)/p-1.
What are the key properties of 3-amino-5-sulfonaphthalene-1-sulfonate?
3-amino-5-sulfonaphthalene-1-sulfonate has a molecular weight of 302.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-sulfonaphthalene-1-sulfonate is sourced from PubChem (CID 5143627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).