3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide

C16H20ClN3O3S — CID 20772129

IUPAC3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide
SMILESNOOSc1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24-23-22-18)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8,18H2,(H,19,21)
InChIKeyCZHHWALBFPJFCI-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.79
Rot. Bonds5

About 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide

3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide (PubChem CID 20772129) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide
PubChem CID20772129
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide
SMILESNOOSc1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24-23-22-18)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8,18H2,(H,19,21)
InChIKeyCZHHWALBFPJFCI-UHFFFAOYSA-N
XLogP2.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tripamide
CID 5282210
4-Chloro-N-[(3aR,7S,7aS)-octahydro-2H-4,7-methanoisoindol-2-yl]-3-sulfamoylbenzamide
CID 72187527
4-Chloro-N-((3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-sulfamoylbenzamide
CID 636401
N-[(2R,6S,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide
CID 52508
ADR 033; E 614; Normonal; TDS; TDS (diuretic); Toripamide
CID 5586
N-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-(propan-2-ylsulfamoyl)benzamide
CID 58979752
N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(propan-2-ylsulfamoyl)benzamide
CID 68168612
N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(methylsulfamoyl)benzamide
CID 68169759
N-(4-azatricyclo[5.2.1.02,6]dec-1-en-4-yl)-4-chloro-3-sulfamoylbenzamide
CID 68667716
N-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-(methylsulfamoyl)benzamide
CID 71160634
N-(4-azatricyclo[5.2.1.02,6]dec-1(9)-en-4-yl)-4-chloro-3-sulfamoylbenzamide
CID 90730536
N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chloro-3-(ethylsulfamoyl)benzamide
CID 135213475

Frequently Asked Questions

What is the IUPAC name of 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide?
The IUPAC name of 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide (CID 20772129) is 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide.
What is the SMILES notation for 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide?
The canonical SMILES for 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide is NOOSc1cc(C(=O)NN2CC3C4CCC(C4)C3C2)ccc1Cl.
What is the InChIKey of 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide?
The InChIKey is CZHHWALBFPJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24-23-22-18)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8,18H2,(H,19,21).
What are the key properties of 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide?
3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide has a molecular weight of 369.87 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoperoxysulfanyl-N-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-4-chlorobenzamide is sourced from PubChem (CID 20772129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).