4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide

C21H21NO2SSe — CID 86197769

IUPAC4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC([Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2SSe/c1-17-12-14-19(15-13-17)25(23,24)22-16-21(18-8-4-2-5-9-18)26-20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKeyLUBDXCWSEYJEFO-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.04
Rot. Bonds7

About 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide

4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide (PubChem CID 86197769) has the molecular formula C21H21NO2SSe and a molecular weight of 430.43 g/mol. Its IUPAC name is 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
PubChem CID86197769
Molecular FormulaC21H21NO2SSe
Molecular Weight430.43 g/mol
Exact Mass431.05
IUPAC Name4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC([Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2SSe/c1-17-12-14-19(15-13-17)25(23,24)22-16-21(18-8-4-2-5-9-18)26-20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKeyLUBDXCWSEYJEFO-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.04
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-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-ylethyl]benzenesulfonamide
CID 6967256
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
CID 1103089
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
4-methyl-N-[(3R,4R)-2-methyl-4-phenylselanylpentan-3-yl]benzenesulfonamide
CID 134831566
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide (CID 86197769) is 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC([Se]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide?
The InChIKey is LUBDXCWSEYJEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2SSe/c1-17-12-14-19(15-13-17)25(23,24)22-16-21(18-8-4-2-5-9-18)26-20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3.
What are the key properties of 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide?
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide has a molecular weight of 430.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide is sourced from PubChem (CID 86197769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).