N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide

C24H32N2O4S2Se2 — CID 10908359

IUPACN-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C24H32N2O4S2Se2/c27-31(28,25-19-11-3-1-4-12-19)21-15-7-9-17-23(21)33-34-24-18-10-8-16-22(24)32(29,30)26-20-13-5-2-6-14-20/h7-10,15-20,25-26H,1-6,11-14H2
InChIKeyFCJONCTVJFDPLI-UHFFFAOYSA-N
MW634.58 g/mol
LogP2.18
Rot. Bonds9

About N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide

N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide (PubChem CID 10908359) has the molecular formula C24H32N2O4S2Se2 and a molecular weight of 634.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
PubChem CID10908359
Molecular FormulaC24H32N2O4S2Se2
Molecular Weight634.58 g/mol
Exact Mass636.01
IUPAC NameN-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C24H32N2O4S2Se2/c27-31(28,25-19-11-3-1-4-12-19)21-15-7-9-17-23(21)33-34-24-18-10-8-16-22(24)32(29,30)26-20-13-5-2-6-14-20/h7-10,15-20,25-26H,1-6,11-14H2
InChIKeyFCJONCTVJFDPLI-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.58
LogP ≤ 52.18
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

2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
N-cyclohexyl-4-fluoronaphthalene-1-sulfonamide
CID 589300
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
CID 91800387
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide (CID 10908359) is N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccccc1[Se][Se]c1ccccc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
The InChIKey is FCJONCTVJFDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2Se2/c27-31(28,25-19-11-3-1-4-12-19)21-15-7-9-17-23(21)33-34-24-18-10-8-16-22(24)32(29,30)26-20-13-5-2-6-14-20/h7-10,15-20,25-26H,1-6,11-14H2.
What are the key properties of N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide?
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide has a molecular weight of 634.58 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide is sourced from PubChem (CID 10908359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).