N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide

C22H30N2O3SSi — CID 23539545

About N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide

N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 23539545) has the molecular formula C22H30N2O3SSi and a molecular weight of 430.65 g/mol. Its IUPAC name is N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
• PubChem CID: 23539545
• Molecular Formula: C22H30N2O3SSi
• Molecular Weight: 430.65 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N/N=C2/CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)cc1
• InChI: InChI=1S/C22H30N2O3SSi/c1-16-10-12-17(13-11-16)28(25,26)24-23-20-15-14-19-18(20)8-7-9-21(19)27-29(5,6)22(2,3)4/h7-13,24H,14-15H2,1-6H3/b23-20-
• InChIKey: TUOYZGAOLRUOIO-ATJXCDBQSA-N
• XLogP: 5.01
• TPSA: 67.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.65
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?

The IUPAC name of N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide (CID 23539545) is N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide.

What is the SMILES notation for N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?

The canonical SMILES for N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2/CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)cc1.

What is the InChIKey of N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?

The InChIKey is TUOYZGAOLRUOIO-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H30N2O3SSi/c1-16-10-12-17(13-11-16)28(25,26)24-23-20-15-14-19-18(20)8-7-9-21(19)27-29(5,6)22(2,3)4/h7-13,24H,14-15H2,1-6H3/b23-20-.

What are the key properties of N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide?

N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 430.65 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).