dilithium;2-aminobenzene-1,3-disulfonate

C6H5Li2NO6S2 — CID 101305541

IUPACdilithium;2-aminobenzene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cccc1S(=O)(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H7NO6S2.2Li/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13;;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
InChIKeyCLEBMXXZUPMVAQ-UHFFFAOYSA-L
MW265.12 g/mol
LogP-6.91
Rot. Bonds2

About dilithium;2-aminobenzene-1,3-disulfonate

dilithium;2-aminobenzene-1,3-disulfonate (PubChem CID 101305541) has the molecular formula C6H5Li2NO6S2 and a molecular weight of 265.12 g/mol. Its IUPAC name is dilithium;2-aminobenzene-1,3-disulfonate.

Molecular Properties

Compound Namedilithium;2-aminobenzene-1,3-disulfonate
PubChem CID101305541
Molecular FormulaC6H5Li2NO6S2
Molecular Weight265.12 g/mol
Exact Mass264.99
IUPAC Namedilithium;2-aminobenzene-1,3-disulfonate
SMILESNc1c(S(=O)(=O)[O-])cccc1S(=O)(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H7NO6S2.2Li/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13;;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
InChIKeyCLEBMXXZUPMVAQ-UHFFFAOYSA-L
XLogP-6.91
TPSA140.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-6.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-Aminobenzenesulfonic acid
CID 6926
2-Amino-p-benzenedisulfonic acid
CID 60988
1,4-Benzenedisulfonic acid, 2-amino-, sodium salt (1:?)
CID 90554
2-Aminobenzenesulfonyl fluoride
CID 97630
4-Amino-1,3-benzenedisulfonic acid
CID 67304
2-Aminobenzenesulfonate
CID 5460186
2-Aminobenzene-1,3,5-trisulfonamide
CID 230714
benzenesulfonic acid, 4-amino-, monolithium salt
CID 44149263
2-Amino-3-fluorobenzene-1-sulfonamide
CID 57751044
2-Diazoniobenzenesulfonate
CID 10535477
Sodium o-aminobenzenesulphonate
CID 23663656
CID 87070825
CID 87070825

Frequently Asked Questions

What is the IUPAC name of dilithium;2-aminobenzene-1,3-disulfonate?
The IUPAC name of dilithium;2-aminobenzene-1,3-disulfonate (CID 101305541) is dilithium;2-aminobenzene-1,3-disulfonate.
What is the SMILES notation for dilithium;2-aminobenzene-1,3-disulfonate?
The canonical SMILES for dilithium;2-aminobenzene-1,3-disulfonate is Nc1c(S(=O)(=O)[O-])cccc1S(=O)(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-aminobenzene-1,3-disulfonate?
The InChIKey is CLEBMXXZUPMVAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7NO6S2.2Li/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13;;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2.
What are the key properties of dilithium;2-aminobenzene-1,3-disulfonate?
dilithium;2-aminobenzene-1,3-disulfonate has a molecular weight of 265.12 g/mol, XLogP of -6.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-aminobenzene-1,3-disulfonate is sourced from PubChem (CID 101305541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).