N-hydroxy-1-phenylmethanesulfonamide

C7H9NO3S — CID 23645541

IUPACN-hydroxy-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NO
InChIInChI=1S/C7H9NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyAUBKGBIPPZSEKF-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.50
Rot. Bonds3

About N-hydroxy-1-phenylmethanesulfonamide

N-hydroxy-1-phenylmethanesulfonamide (PubChem CID 23645541) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-hydroxy-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-hydroxy-1-phenylmethanesulfonamide
PubChem CID23645541
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC NameN-hydroxy-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NO
InChIInChI=1S/C7H9NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyAUBKGBIPPZSEKF-UHFFFAOYSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hydroxy-1-phenylmethanesulfonamide 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 N-hydroxy-1-phenylmethanesulfonamide?
The IUPAC name of N-hydroxy-1-phenylmethanesulfonamide (CID 23645541) is N-hydroxy-1-phenylmethanesulfonamide.
What is the SMILES notation for N-hydroxy-1-phenylmethanesulfonamide?
The canonical SMILES for N-hydroxy-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NO.
What is the InChIKey of N-hydroxy-1-phenylmethanesulfonamide?
The InChIKey is AUBKGBIPPZSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-8-12(10,11)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of N-hydroxy-1-phenylmethanesulfonamide?
N-hydroxy-1-phenylmethanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-phenylmethanesulfonamide is sourced from PubChem (CID 23645541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).