azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid

C7H14N2O7S2 — CID 146681212

IUPACazane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
SMILESCc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O.N.N
InChIInChI=1S/C7H8O7S2.2H3N/c1-4-2-5(8)7(16(12,13)14)3-6(4)15(9,10)11;;/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14);2*1H3
InChIKeyVZYSXQPGUOWJGF-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.52
Rot. Bonds2

About azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid

azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid (PubChem CID 146681212) has the molecular formula C7H14N2O7S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid.

Molecular Properties

Compound Nameazane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
PubChem CID146681212
Molecular FormulaC7H14N2O7S2
Molecular Weight302.33 g/mol
Exact Mass302.02
IUPAC Nameazane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
SMILESCc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O.N.N
InChIInChI=1S/C7H8O7S2.2H3N/c1-4-2-5(8)7(16(12,13)14)3-6(4)15(9,10)11;;/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14);2*1H3
InChIKeyVZYSXQPGUOWJGF-UHFFFAOYSA-N
XLogP0.52
TPSA198.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dihydroxy-4-methylbenzenesulfonic acid
CID 18724887
CID 173398336
CID 173398336
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
CID 14197010
4-chloro-2,5-dimethylbenzenesulfonic acid
CID 14910662
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
4-hydroxy-2-methyl-5-(1-phenylethyl)benzenesulfonic acid
CID 19033725
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
azane;2,4-dihydroxybenzenesulfonic acid
CID 131881093
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
2-methyl-4,5-disulfinobenzenesulfonic acid;uranium
CID 23591718

Frequently Asked Questions

What is the IUPAC name of azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid?
The IUPAC name of azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid (CID 146681212) is azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid.
What is the SMILES notation for azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid?
The canonical SMILES for azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid is Cc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O.N.N.
What is the InChIKey of azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid?
The InChIKey is VZYSXQPGUOWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7S2.2H3N/c1-4-2-5(8)7(16(12,13)14)3-6(4)15(9,10)11;;/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14);2*1H3.
What are the key properties of azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid?
azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid has a molecular weight of 302.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid is sourced from PubChem (CID 146681212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).