ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine

C10H13I2NO3S — CID 157245911

IUPACethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine
SMILESCC.Cc1ccccc1S(=O)(=O)N=C=O.II
InChIInChI=1S/C8H7NO3S.C2H6.I2/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;2*1-2/h2-5H,1H3;1-2H3;
InChIKeyAVTLUNTZCGGKSJ-UHFFFAOYSA-N
MW481.09 g/mol
LogP3.82
Rot. Bonds2

About ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine

ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine (PubChem CID 157245911) has the molecular formula C10H13I2NO3S and a molecular weight of 481.09 g/mol. Its IUPAC name is ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine.

Molecular Properties

Compound Nameethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine
PubChem CID157245911
Molecular FormulaC10H13I2NO3S
Molecular Weight481.09 g/mol
Exact Mass480.87
IUPAC Nameethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine
SMILESCC.Cc1ccccc1S(=O)(=O)N=C=O.II
InChIInChI=1S/C8H7NO3S.C2H6.I2/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;2*1-2/h2-5H,1H3;1-2H3;
InChIKeyAVTLUNTZCGGKSJ-UHFFFAOYSA-N
XLogP3.82
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.09
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine 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 ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine?
The IUPAC name of ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine (CID 157245911) is ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine.
What is the SMILES notation for ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine?
The canonical SMILES for ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine is CC.Cc1ccccc1S(=O)(=O)N=C=O.II.
What is the InChIKey of ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine?
The InChIKey is AVTLUNTZCGGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S.C2H6.I2/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;2*1-2/h2-5H,1H3;1-2H3;.
What are the key properties of ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine?
ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine has a molecular weight of 481.09 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(oxomethylidene)benzenesulfonamide;molecular iodine is sourced from PubChem (CID 157245911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).