4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide

C16H17NO2SSe — CID 24951292

IUPAC4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
SMILESC=C(CNS(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1
InChIInChI=1S/C16H17NO2SSe/c1-13-8-10-15(11-9-13)20(18,19)17-12-14(2)21-16-6-4-3-5-7-16/h3-11,17H,2,12H2,1H3
InChIKeyUAZMPVUPPXTEFL-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.82
Rot. Bonds6

About 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide

4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide (PubChem CID 24951292) has the molecular formula C16H17NO2SSe and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
PubChem CID24951292
Molecular FormulaC16H17NO2SSe
Molecular Weight366.34 g/mol
Exact Mass367.01
IUPAC Name4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
SMILESC=C(CNS(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1
InChIInChI=1S/C16H17NO2SSe/c1-13-8-10-15(11-9-13)20(18,19)17-12-14(2)21-16-6-4-3-5-7-16/h3-11,17H,2,12H2,1H3
InChIKeyUAZMPVUPPXTEFL-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
CID 71512775
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
CID 101397381
CID 101344553
CID 101344553

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide (CID 24951292) is 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide is C=C(CNS(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide?
The InChIKey is UAZMPVUPPXTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2SSe/c1-13-8-10-15(11-9-13)20(18,19)17-12-14(2)21-16-6-4-3-5-7-16/h3-11,17H,2,12H2,1H3.
What are the key properties of 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide?
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide has a molecular weight of 366.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 24951292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).