4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

C18H18N2O4S — CID 70684757

IUPAC4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1
InChIInChI=1S/C18H18N2O4S/c21-20-16-6-9-18(10-7-16)25(22,23)19-11-12-24-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19-21H,11-12H2
InChIKeyWPPIAVCIUZNQCQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.00
Rot. Bonds7

About 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (PubChem CID 70684757) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
PubChem CID70684757
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1
InChIInChI=1S/C18H18N2O4S/c21-20-16-6-9-18(10-7-16)25(22,23)19-11-12-24-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19-21H,11-12H2
InChIKeyWPPIAVCIUZNQCQ-UHFFFAOYSA-N
XLogP3.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (CID 70684757) is 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide is O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1.
What is the InChIKey of 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The InChIKey is WPPIAVCIUZNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-20-16-6-9-18(10-7-16)25(22,23)19-11-12-24-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19-21H,11-12H2.
What are the key properties of 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 70684757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).