4-(aminooxymethyl)benzenesulfonamide

C7H10N2O3S — CID 59478333

IUPAC4-(aminooxymethyl)benzenesulfonamide
SMILESNOCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O3S/c8-12-5-6-1-3-7(4-2-6)13(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyDQGRYZFBJINKGB-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.28
Rot. Bonds3

About 4-(aminooxymethyl)benzenesulfonamide

4-(aminooxymethyl)benzenesulfonamide (PubChem CID 59478333) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 4-(aminooxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminooxymethyl)benzenesulfonamide
PubChem CID59478333
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name4-(aminooxymethyl)benzenesulfonamide
SMILESNOCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O3S/c8-12-5-6-1-3-7(4-2-6)13(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyDQGRYZFBJINKGB-UHFFFAOYSA-N
XLogP-0.28
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)benzenesulfonamide?
The IUPAC name of 4-(aminooxymethyl)benzenesulfonamide (CID 59478333) is 4-(aminooxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminooxymethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminooxymethyl)benzenesulfonamide is NOCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(aminooxymethyl)benzenesulfonamide?
The InChIKey is DQGRYZFBJINKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c8-12-5-6-1-3-7(4-2-6)13(9,10)11/h1-4H,5,8H2,(H2,9,10,11).
What are the key properties of 4-(aminooxymethyl)benzenesulfonamide?
4-(aminooxymethyl)benzenesulfonamide has a molecular weight of 202.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)benzenesulfonamide is sourced from PubChem (CID 59478333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).