amino benzenesulfonate;zinc

C6H7NO3SZn — CID 175523856

IUPACamino benzenesulfonate;zinc
SMILESNOS(=O)(=O)c1ccccc1.[Zn]
InChIInChI=1S/C6H7NO3S.Zn/c7-10-11(8,9)6-4-2-1-3-5-6;/h1-5H,7H2;
InChIKeyPKCUQSARSDJVJP-UHFFFAOYSA-N
MW238.58 g/mol
LogP0.26
Rot. Bonds2

About amino benzenesulfonate;zinc

amino benzenesulfonate;zinc (PubChem CID 175523856) has the molecular formula C6H7NO3SZn and a molecular weight of 238.58 g/mol. Its IUPAC name is amino benzenesulfonate;zinc.

Molecular Properties

Compound Nameamino benzenesulfonate;zinc
PubChem CID175523856
Molecular FormulaC6H7NO3SZn
Molecular Weight238.58 g/mol
Exact Mass236.94
IUPAC Nameamino benzenesulfonate;zinc
SMILESNOS(=O)(=O)c1ccccc1.[Zn]
InChIInChI=1S/C6H7NO3S.Zn/c7-10-11(8,9)6-4-2-1-3-5-6;/h1-5H,7H2;
InChIKeyPKCUQSARSDJVJP-UHFFFAOYSA-N
XLogP0.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino 4-methylbenzenesulfonate
CID 10965249
fluoro benzenesulfonate
CID 145272167
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
sodium sulfido benzenesulfonate
CID 58825267
[amino(benzenesulfonyloxy)phosphoryl] benzenesulfonate
CID 175594882
nitroso benzenesulfonate
CID 88672539
bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
amino 4-acetylbenzenesulfonate
CID 174903574
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
(carbamoylamino) benzenesulfonate;hydrate
CID 174585607
[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389
CID 87966251
CID 87966251

Frequently Asked Questions

What is the IUPAC name of amino benzenesulfonate;zinc?
The IUPAC name of amino benzenesulfonate;zinc (CID 175523856) is amino benzenesulfonate;zinc.
What is the SMILES notation for amino benzenesulfonate;zinc?
The canonical SMILES for amino benzenesulfonate;zinc is NOS(=O)(=O)c1ccccc1.[Zn].
What is the InChIKey of amino benzenesulfonate;zinc?
The InChIKey is PKCUQSARSDJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S.Zn/c7-10-11(8,9)6-4-2-1-3-5-6;/h1-5H,7H2;.
What are the key properties of amino benzenesulfonate;zinc?
amino benzenesulfonate;zinc has a molecular weight of 238.58 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino benzenesulfonate;zinc is sourced from PubChem (CID 175523856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).