sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate

C6H5Cl2N2NaO3S — CID 23662559

IUPACsodium 2,5-dichloro-4-hydrazinylbenzenesulfonate
SMILESNNc1cc(Cl)c(S(=O)(=O)[O-])cc1Cl.[Na+]
InChIInChI=1S/C6H6Cl2N2O3S.Na/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9;/h1-2,10H,9H2,(H,11,12,13);/q;+1/p-1
InChIKeyRFVLQKJFRXXZLG-UHFFFAOYSA-M
MW279.08 g/mol
LogP-1.81
Rot. Bonds2

About sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate

sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate (PubChem CID 23662559) has the molecular formula C6H5Cl2N2NaO3S and a molecular weight of 279.08 g/mol. Its IUPAC name is sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate.

Molecular Properties

Compound Namesodium 2,5-dichloro-4-hydrazinylbenzenesulfonate
PubChem CID23662559
Molecular FormulaC6H5Cl2N2NaO3S
Molecular Weight279.08 g/mol
Exact Mass277.93
IUPAC Namesodium 2,5-dichloro-4-hydrazinylbenzenesulfonate
SMILESNNc1cc(Cl)c(S(=O)(=O)[O-])cc1Cl.[Na+]
InChIInChI=1S/C6H6Cl2N2O3S.Na/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9;/h1-2,10H,9H2,(H,11,12,13);/q;+1/p-1
InChIKeyRFVLQKJFRXXZLG-UHFFFAOYSA-M
XLogP-1.81
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2,4,5-trichlorobenzenesulfonate
CID 23673597
(2,4,5-trichlorophenyl)hydrazine
CID 1381942
sodium 5-amino-2-chlorobenzenesulfonate
CID 102504052
sodium 2-hydrazinylbenzenesulfonate
CID 23680694
calcium bis(5-amino-2-chlorobenzenesulfonate)
CID 102504051
phosphoric acid;(2,4,5-trichlorophenyl)hydrazine
CID 138619519
(4-bromo-2,5-dichlorophenyl)hydrazine
CID 3474185
bis(4-amino-2-chloro-5-methylbenzenesulfonate);nickel(2+)
CID 101303855
calcium bis(5-amino-3-chloro-2-methylbenzenesulfonate)
CID 101303910
dipotassium;2-chloro-5-(4-chloro-3-sulfonatophenyl)sulfonylbenzenesulfonate
CID 23071661
trisodium;5-aminobenzene-1,2,3-trisulfonate
CID 101305558
sodium 4-anilino-2-chlorobenzenesulfonate
CID 88505151

Frequently Asked Questions

What is the IUPAC name of sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate?
The IUPAC name of sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate (CID 23662559) is sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate.
What is the SMILES notation for sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate?
The canonical SMILES for sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate is NNc1cc(Cl)c(S(=O)(=O)[O-])cc1Cl.[Na+].
What is the InChIKey of sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate?
The InChIKey is RFVLQKJFRXXZLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6Cl2N2O3S.Na/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9;/h1-2,10H,9H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate?
sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate has a molecular weight of 279.08 g/mol, XLogP of -1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,5-dichloro-4-hydrazinylbenzenesulfonate is sourced from PubChem (CID 23662559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).