3-[(E)-hydroxyiminomethyl]benzenesulfonamide

C7H8N2O3S — CID 18461687

IUPAC3-[(E)-hydroxyiminomethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/C=N/O)c1
InChIInChI=1S/C7H8N2O3S/c8-13(11,12)7-3-1-2-6(4-7)5-9-10/h1-5,10H,(H2,8,11,12)/b9-5+
InChIKeyQWZAZGPSBMQBBL-WEVVVXLNSA-N
MW200.22 g/mol
LogP0.14
Rot. Bonds2

About 3-[(E)-hydroxyiminomethyl]benzenesulfonamide

3-[(E)-hydroxyiminomethyl]benzenesulfonamide (PubChem CID 18461687) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-[(E)-hydroxyiminomethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(E)-hydroxyiminomethyl]benzenesulfonamide
PubChem CID18461687
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name3-[(E)-hydroxyiminomethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/C=N/O)c1
InChIInChI=1S/C7H8N2O3S/c8-13(11,12)7-3-1-2-6(4-7)5-9-10/h1-5,10H,(H2,8,11,12)/b9-5+
InChIKeyQWZAZGPSBMQBBL-WEVVVXLNSA-N
XLogP0.14
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hydroxyiminomethyl]benzenesulfonamide?
The IUPAC name of 3-[(E)-hydroxyiminomethyl]benzenesulfonamide (CID 18461687) is 3-[(E)-hydroxyiminomethyl]benzenesulfonamide.
What is the SMILES notation for 3-[(E)-hydroxyiminomethyl]benzenesulfonamide?
The canonical SMILES for 3-[(E)-hydroxyiminomethyl]benzenesulfonamide is NS(=O)(=O)c1cccc(/C=N/O)c1.
What is the InChIKey of 3-[(E)-hydroxyiminomethyl]benzenesulfonamide?
The InChIKey is QWZAZGPSBMQBBL-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H8N2O3S/c8-13(11,12)7-3-1-2-6(4-7)5-9-10/h1-5,10H,(H2,8,11,12)/b9-5+.
What are the key properties of 3-[(E)-hydroxyiminomethyl]benzenesulfonamide?
3-[(E)-hydroxyiminomethyl]benzenesulfonamide has a molecular weight of 200.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydroxyiminomethyl]benzenesulfonamide is sourced from PubChem (CID 18461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).