nitroso benzenesulfonate

C6H5NO4S — CID 88672539

IUPACnitroso benzenesulfonate
SMILESO=NOS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H5NO4S/c8-7-11-12(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyVZKBLOXOZBSTEQ-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.07
Rot. Bonds3

About nitroso benzenesulfonate

nitroso benzenesulfonate (PubChem CID 88672539) has the molecular formula C6H5NO4S and a molecular weight of 187.18 g/mol. Its IUPAC name is nitroso benzenesulfonate.

Molecular Properties

Compound Namenitroso benzenesulfonate
PubChem CID88672539
Molecular FormulaC6H5NO4S
Molecular Weight187.18 g/mol
Exact Mass186.99
IUPAC Namenitroso benzenesulfonate
SMILESO=NOS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H5NO4S/c8-7-11-12(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyVZKBLOXOZBSTEQ-UHFFFAOYSA-N
XLogP1.07
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze nitroso benzenesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
(cycloheptylideneamino) benzenesulfonate
CID 87078888
fluoro benzenesulfonate
CID 145272167
amino benzenesulfonate;zinc
CID 175523856
sodium sulfido benzenesulfonate
CID 58825267
[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
CID 87078782
[[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 4-methylbenzenesulfonate
CID 5229184
bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
[(E)-[(6E)-4,6-bis(benzenesulfonyloxyimino)heptan-2-ylidene]amino] benzenesulfonate
CID 87328764
(3-oxopentan-2-ylideneamino) benzenesulfonate
CID 173378620

Frequently Asked Questions

What is the IUPAC name of nitroso benzenesulfonate?
The IUPAC name of nitroso benzenesulfonate (CID 88672539) is nitroso benzenesulfonate.
What is the SMILES notation for nitroso benzenesulfonate?
The canonical SMILES for nitroso benzenesulfonate is O=NOS(=O)(=O)c1ccccc1.
What is the InChIKey of nitroso benzenesulfonate?
The InChIKey is VZKBLOXOZBSTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4S/c8-7-11-12(9,10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of nitroso benzenesulfonate?
nitroso benzenesulfonate has a molecular weight of 187.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso benzenesulfonate is sourced from PubChem (CID 88672539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).