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

C22H30N2O3SSi — CID 23539545

IUPACN-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)cc1
InChIInChI=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-
InChIKeyTUOYZGAOLRUOIO-ATJXCDBQSA-N
MW430.65 g/mol
LogP5.01
Rot. Bonds5

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 NameN-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
PubChem CID23539545
Molecular FormulaC22H30N2O3SSi
Molecular Weight430.65 g/mol
Exact Mass430.17
IUPAC NameN-[(Z)-[4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2/CCc3c(O[Si](C)(C)C(C)(C)C)cccc32)cc1
InChIInChI=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-
InChIKeyTUOYZGAOLRUOIO-ATJXCDBQSA-N
XLogP5.01
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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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).