N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide

C14H16N2O4S2Se2 — CID 10553370

IUPACN-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C14H16N2O4S2Se2/c1-15-21(17,18)11-7-3-5-9-13(11)23-24-14-10-6-4-8-12(14)22(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeyCGNYZVGWMLCIRP-UHFFFAOYSA-N
MW498.35 g/mol
LogP-1.22
Rot. Bonds7

About N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide

N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide (PubChem CID 10553370) has the molecular formula C14H16N2O4S2Se2 and a molecular weight of 498.35 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
PubChem CID10553370
Molecular FormulaC14H16N2O4S2Se2
Molecular Weight498.35 g/mol
Exact Mass499.89
IUPAC NameN-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C14H16N2O4S2Se2/c1-15-21(17,18)11-7-3-5-9-13(11)23-24-14-10-6-4-8-12(14)22(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeyCGNYZVGWMLCIRP-UHFFFAOYSA-N
XLogP-1.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methylbenzenesulfonamide
CID 850141
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
CID 10580102
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324
2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
CID 21284140
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide (CID 10553370) is N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The InChIKey is CGNYZVGWMLCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2Se2/c1-15-21(17,18)11-7-3-5-9-13(11)23-24-14-10-6-4-8-12(14)22(19,20)16-2/h3-10,15-16H,1-2H3.
What are the key properties of N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide has a molecular weight of 498.35 g/mol, XLogP of -1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide is sourced from PubChem (CID 10553370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).