bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate

C22H14Cl4N4O7S2 — CID 56844299

IUPACbis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
SMILESN#[N+]c1ccc(Cl)cc1Cl.N#[N+]c1ccc(Cl)cc1Cl.O.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12
InChIInChI=1S/C10H8O6S2.2C6H3Cl2N2.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*7-4-1-2-6(10-9)5(8)3-4;/h1-6H,(H,11,12,13)(H,14,15,16);2*1-3H;1H2/q;2*+1;/p-2
InChIKeyWXFCKVHLDOIRDU-UHFFFAOYSA-L
MW652.32 g/mol
LogP6.78
Rot. Bonds2

About bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate

bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate (PubChem CID 56844299) has the molecular formula C22H14Cl4N4O7S2 and a molecular weight of 652.32 g/mol. Its IUPAC name is bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate.

Molecular Properties

Compound Namebis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
PubChem CID56844299
Molecular FormulaC22H14Cl4N4O7S2
Molecular Weight652.32 g/mol
Exact Mass649.91
IUPAC Namebis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
SMILESN#[N+]c1ccc(Cl)cc1Cl.N#[N+]c1ccc(Cl)cc1Cl.O.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12
InChIInChI=1S/C10H8O6S2.2C6H3Cl2N2.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*7-4-1-2-6(10-9)5(8)3-4;/h1-6H,(H,11,12,13)(H,14,15,16);2*1-3H;1H2/q;2*+1;/p-2
InChIKeyWXFCKVHLDOIRDU-UHFFFAOYSA-L
XLogP6.78
TPSA202.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.32
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate?
The IUPAC name of bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate (CID 56844299) is bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate.
What is the SMILES notation for bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate?
The canonical SMILES for bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate is N#[N+]c1ccc(Cl)cc1Cl.N#[N+]c1ccc(Cl)cc1Cl.O.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.
What is the InChIKey of bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate?
The InChIKey is WXFCKVHLDOIRDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O6S2.2C6H3Cl2N2.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*7-4-1-2-6(10-9)5(8)3-4;/h1-6H,(H,11,12,13)(H,14,15,16);2*1-3H;1H2/q;2*+1;/p-2.
What are the key properties of bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate?
bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate has a molecular weight of 652.32 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate is sourced from PubChem (CID 56844299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).