N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide

C28H25NO4S2Se — CID 132522180

IUPACN-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide
SMILESCc1ccc(/C(=C\[Se]c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C28H25NO4S2Se/c1-22-18-19-27(23(2)20-22)28(21-36-26-16-10-5-11-17-26)29(34(30,31)24-12-6-3-7-13-24)35(32,33)25-14-8-4-9-15-25/h3-21H,1-2H3/b28-21+
InChIKeyFZLKQUMWHWIZGG-SGWCAAJKSA-N
MW582.61 g/mol
LogP4.71
Rot. Bonds8

About N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide (PubChem CID 132522180) has the molecular formula C28H25NO4S2Se and a molecular weight of 582.61 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide
PubChem CID132522180
Molecular FormulaC28H25NO4S2Se
Molecular Weight582.61 g/mol
Exact Mass583.04
IUPAC NameN-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide
SMILESCc1ccc(/C(=C\[Se]c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C28H25NO4S2Se/c1-22-18-19-27(23(2)20-22)28(21-36-26-16-10-5-11-17-26)29(34(30,31)24-12-6-3-7-13-24)35(32,33)25-14-8-4-9-15-25/h3-21H,1-2H3/b28-21+
InChIKeyFZLKQUMWHWIZGG-SGWCAAJKSA-N
XLogP4.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-N-[(E)-2-phenylselanyl-1-(2-propan-2-ylphenyl)ethenyl]benzenesulfonamide
CID 132522179
N-(benzenesulfonyl)-N-[(E)-1-(4-cyanophenyl)-2-phenylselanylethenyl]benzenesulfonamide
CID 132522176
1-methyl-4-[(Z)-1-phenyl-2-phenylselanylethenyl]sulfonylbenzene
CID 134936070
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
CID 2856819
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 2253626
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126385344
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide (CID 132522180) is N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide is Cc1ccc(/C(=C\[Se]c2ccccc2)N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide?
The InChIKey is FZLKQUMWHWIZGG-SGWCAAJKSA-N. The full InChI is InChI=1S/C28H25NO4S2Se/c1-22-18-19-27(23(2)20-22)28(21-36-26-16-10-5-11-17-26)29(34(30,31)24-12-6-3-7-13-24)35(32,33)25-14-8-4-9-15-25/h3-21H,1-2H3/b28-21+.
What are the key properties of N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide has a molecular weight of 582.61 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(E)-1-(2,4-dimethylphenyl)-2-phenylselanylethenyl]benzenesulfonamide is sourced from PubChem (CID 132522180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).