dipotassium;4,6-diaminobenzene-1,3-disulfonate

C6H6K2N2O6S2 — CID 139977776

IUPACdipotassium;4,6-diaminobenzene-1,3-disulfonate
SMILESNc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H8N2O6S2.2K/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;;/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyMYDZZRPDKMUTGO-UHFFFAOYSA-L
MW344.45 g/mol
LogP-7.33
Rot. Bonds2

About dipotassium;4,6-diaminobenzene-1,3-disulfonate

dipotassium;4,6-diaminobenzene-1,3-disulfonate (PubChem CID 139977776) has the molecular formula C6H6K2N2O6S2 and a molecular weight of 344.45 g/mol. Its IUPAC name is dipotassium;4,6-diaminobenzene-1,3-disulfonate.

Molecular Properties

Compound Namedipotassium;4,6-diaminobenzene-1,3-disulfonate
PubChem CID139977776
Molecular FormulaC6H6K2N2O6S2
Molecular Weight344.45 g/mol
Exact Mass343.89
IUPAC Namedipotassium;4,6-diaminobenzene-1,3-disulfonate
SMILESNc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H8N2O6S2.2K/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;;/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyMYDZZRPDKMUTGO-UHFFFAOYSA-L
XLogP-7.33
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 5-7.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

tripotassium;5-aminobenzene-1,2,4-trisulfonate
CID 101305566
4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)
CID 139769877
lithium 2,5-diaminobenzenesulfonate
CID 101305300
4,6-diaminobenzene-1,3-disulfonate;bis(dibenzyl(methyl)azanium)
CID 139769812
sodium 2,4-diaminobenzenesulfonate
CID 23678866
aluminum tris(2,4-diaminobenzenesulfonate)
CID 175222789
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
2-amino-4-hydroxybenzenesulfonate
CID 22943018
diazanium;7-aminonaphthalene-1,3,6-trisulfonate
CID 139595142
2,5-diaminobenzenesulfonate;dimethylazanium
CID 139769765
sodium 2-amino-5-sulfobenzenesulfonate
CID 53470623
lithium 2-aminobenzenesulfonate
CID 59248314

Frequently Asked Questions

What is the IUPAC name of dipotassium;4,6-diaminobenzene-1,3-disulfonate?
The IUPAC name of dipotassium;4,6-diaminobenzene-1,3-disulfonate (CID 139977776) is dipotassium;4,6-diaminobenzene-1,3-disulfonate.
What is the SMILES notation for dipotassium;4,6-diaminobenzene-1,3-disulfonate?
The canonical SMILES for dipotassium;4,6-diaminobenzene-1,3-disulfonate is Nc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;4,6-diaminobenzene-1,3-disulfonate?
The InChIKey is MYDZZRPDKMUTGO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8N2O6S2.2K/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;;/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2.
What are the key properties of dipotassium;4,6-diaminobenzene-1,3-disulfonate?
dipotassium;4,6-diaminobenzene-1,3-disulfonate has a molecular weight of 344.45 g/mol, XLogP of -7.33, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4,6-diaminobenzene-1,3-disulfonate is sourced from PubChem (CID 139977776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).