sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate

C6H10ClNNaO5S+ — CID 160841081

IUPACsodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate
SMILESO.O.O=S(=O)([N-]Cl)c1ccc([OH2+])cc1.[Na+]
InChIInChI=1S/C6H5ClNO3S.Na.2H2O/c7-8-12(10,11)6-3-1-5(9)2-4-6;;;/h1-4,9H;;2*1H2/q-1;+1;;/p+1
InChIKeyDBBURXUHBMDODW-UHFFFAOYSA-O
MW266.66 g/mol
LogP-3.30
Rot. Bonds2

About sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate

sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate (PubChem CID 160841081) has the molecular formula C6H10ClNNaO5S+ and a molecular weight of 266.66 g/mol. Its IUPAC name is sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate.

Molecular Properties

Compound Namesodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate
PubChem CID160841081
Molecular FormulaC6H10ClNNaO5S+
Molecular Weight266.66 g/mol
Exact Mass265.99
IUPAC Namesodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate
SMILESO.O.O=S(=O)([N-]Cl)c1ccc([OH2+])cc1.[Na+]
InChIInChI=1S/C6H5ClNO3S.Na.2H2O/c7-8-12(10,11)6-3-1-5(9)2-4-6;;;/h1-4,9H;;2*1H2/q-1;+1;;/p+1
InChIKeyDBBURXUHBMDODW-UHFFFAOYSA-O
XLogP-3.30
TPSA134.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 5-3.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxybenzenesulfonic acid
CID 4765
Zinc Phenolsulfonate
CID 31391
p-Hydroxybenzenesulfonamide
CID 74093
Sodium 4-hydroxybenzenesulfonate
CID 4379756
4-(Methylsulfonyl)phenol
CID 123350
Sodium P-phenolsulfonate dihydrate
CID 23666329
4-hydroxy-N,N-dimethylbenzenesulfonamide
CID 84760
o-Phenolsulfonic acid
CID 11867
4-Sulfophenol
CID 3010347
3-Hydroxybenzenesulfonamide
CID 637557
Ammonium phenolsulfonate
CID 173839
Sodium O-phenolsulfonate
CID 23674503

Frequently Asked Questions

What is the IUPAC name of sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate?
The IUPAC name of sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate (CID 160841081) is sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate.
What is the SMILES notation for sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate?
The canonical SMILES for sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate is O.O.O=S(=O)([N-]Cl)c1ccc([OH2+])cc1.[Na+].
What is the InChIKey of sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate?
The InChIKey is DBBURXUHBMDODW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClNO3S.Na.2H2O/c7-8-12(10,11)6-3-1-5(9)2-4-6;;;/h1-4,9H;;2*1H2/q-1;+1;;/p+1.
What are the key properties of sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate?
sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate has a molecular weight of 266.66 g/mol, XLogP of -3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro-(4-oxoniophenyl)sulfonylazanide;dihydrate is sourced from PubChem (CID 160841081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).