benzene;N-phenylmethanesulfonamide;yttrium

C13H13NO2SY-2 — CID 58905407

IUPACbenzene;N-phenylmethanesulfonamide;yttrium
SMILESCS(=O)(=O)Nc1[c-]cccc1.[Y].[c-]1ccccc1
InChIInChI=1S/C7H8NO2S.C6H5.Y/c1-11(9,10)8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-5,8H,1H3;1-5H;/q2*-1;
InChIKeyOGBFBYAQNKLRGK-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.34
Rot. Bonds2

About benzene;N-phenylmethanesulfonamide;yttrium

benzene;N-phenylmethanesulfonamide;yttrium (PubChem CID 58905407) has the molecular formula C13H13NO2SY-2 and a molecular weight of 336.23 g/mol. Its IUPAC name is benzene;N-phenylmethanesulfonamide;yttrium.

Molecular Properties

Compound Namebenzene;N-phenylmethanesulfonamide;yttrium
PubChem CID58905407
Molecular FormulaC13H13NO2SY-2
Molecular Weight336.23 g/mol
Exact Mass335.97
IUPAC Namebenzene;N-phenylmethanesulfonamide;yttrium
SMILESCS(=O)(=O)Nc1[c-]cccc1.[Y].[c-]1ccccc1
InChIInChI=1S/C7H8NO2S.C6H5.Y/c1-11(9,10)8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-5,8H,1H3;1-5H;/q2*-1;
InChIKeyOGBFBYAQNKLRGK-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze benzene;N-phenylmethanesulfonamide;yttrium 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 benzene;N-phenylmethanesulfonamide;yttrium?
The IUPAC name of benzene;N-phenylmethanesulfonamide;yttrium (CID 58905407) is benzene;N-phenylmethanesulfonamide;yttrium.
What is the SMILES notation for benzene;N-phenylmethanesulfonamide;yttrium?
The canonical SMILES for benzene;N-phenylmethanesulfonamide;yttrium is CS(=O)(=O)Nc1[c-]cccc1.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;N-phenylmethanesulfonamide;yttrium?
The InChIKey is OGBFBYAQNKLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2S.C6H5.Y/c1-11(9,10)8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;/h2-5,8H,1H3;1-5H;/q2*-1;.
What are the key properties of benzene;N-phenylmethanesulfonamide;yttrium?
benzene;N-phenylmethanesulfonamide;yttrium has a molecular weight of 336.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-phenylmethanesulfonamide;yttrium is sourced from PubChem (CID 58905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).