N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide

C26H24N2O4S2Se2 — CID 10580102

IUPACN-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2[Se][Se]c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)27-33(29,30)23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)34(31,32)28-22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
InChIKeyVYXJFBVYRYEAJZ-UHFFFAOYSA-N
MW650.54 g/mol
LogP3.18
Rot. Bonds9

About N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide

N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide (PubChem CID 10580102) has the molecular formula C26H24N2O4S2Se2 and a molecular weight of 650.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
PubChem CID10580102
Molecular FormulaC26H24N2O4S2Se2
Molecular Weight650.54 g/mol
Exact Mass651.95
IUPAC NameN-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2[Se][Se]c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)27-33(29,30)23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)34(31,32)28-22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
InChIKeyVYXJFBVYRYEAJZ-UHFFFAOYSA-N
XLogP3.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.54
LogP ≤ 53.18
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

1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483846
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483839
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 17247694
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide (CID 10580102) is N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2[Se][Se]c2ccccc2S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide?
The InChIKey is VYXJFBVYRYEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2Se2/c1-19-11-15-21(16-12-19)27-33(29,30)23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)34(31,32)28-22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3.
What are the key properties of N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide?
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide has a molecular weight of 650.54 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide is sourced from PubChem (CID 10580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).