2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate

C16H10Cl2N2O6S2 — CID 19908751

IUPAC2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
SMILESN#[N+]c1ccc(Cl)cc1Cl.O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2.C6H3Cl2N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;7-4-1-2-6(10-9)5(8)3-4/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-1
InChIKeyDBSHZQPPSDPIMP-UHFFFAOYSA-M
MW461.30 g/mol
LogP4.47
Rot. Bonds2

About 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate

2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate (PubChem CID 19908751) has the molecular formula C16H10Cl2N2O6S2 and a molecular weight of 461.30 g/mol. Its IUPAC name is 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate.

Molecular Properties

Compound Name2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
PubChem CID19908751
Molecular FormulaC16H10Cl2N2O6S2
Molecular Weight461.30 g/mol
Exact Mass459.94
IUPAC Name2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
SMILESN#[N+]c1ccc(Cl)cc1Cl.O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2.C6H3Cl2N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;7-4-1-2-6(10-9)5(8)3-4/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-1
InChIKeyDBSHZQPPSDPIMP-UHFFFAOYSA-M
XLogP4.47
TPSA139.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
CID 56844299
5-chloro-2-methylbenzenediazonium;5-sulfonaphthalene-1-sulfonate
CID 21424293
5-sulfonaphthalene-1-sulfonate
CID 3517121
3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
CID 173209773
2,4-dichlorobenzenediazonium;trichloroiron;chloride
CID 139974846
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
CID 23707139
sodium 4-chloronaphthalene-1-sulfonate
CID 23667684
2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate
CID 22077243
2-diazoniobenzenesulfonate
CID 10535477

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate?
The IUPAC name of 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate (CID 19908751) is 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate.
What is the SMILES notation for 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate?
The canonical SMILES for 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate is N#[N+]c1ccc(Cl)cc1Cl.O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate?
The InChIKey is DBSHZQPPSDPIMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O6S2.C6H3Cl2N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;7-4-1-2-6(10-9)5(8)3-4/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-1.
What are the key properties of 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate?
2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate has a molecular weight of 461.30 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate is sourced from PubChem (CID 19908751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).