2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide

C23H35Cl2N3O4SSi — CID 10674178

IUPAC2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(CCCC2(c3ccc(Cl)cc3Cl)OCCO2)cnc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H35Cl2N3O4SSi/c1-22(2,3)34(6,7)21-26-16-18(28(21)33(29,30)27(4)5)9-8-12-23(31-13-14-32-23)19-11-10-17(24)15-20(19)25/h10-11,15-16H,8-9,12-14H2,1-7H3
InChIKeyABHMNCORCPNUOH-UHFFFAOYSA-N
MW548.61 g/mol
LogP4.78
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide

2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 10674178) has the molecular formula C23H35Cl2N3O4SSi and a molecular weight of 548.61 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide
PubChem CID10674178
Molecular FormulaC23H35Cl2N3O4SSi
Molecular Weight548.61 g/mol
Exact Mass547.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(CCCC2(c3ccc(Cl)cc3Cl)OCCO2)cnc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H35Cl2N3O4SSi/c1-22(2,3)34(6,7)21-26-16-18(28(21)33(29,30)27(4)5)9-8-12-23(31-13-14-32-23)19-11-10-17(24)15-20(19)25/h10-11,15-16H,8-9,12-14H2,1-7H3
InChIKeyABHMNCORCPNUOH-UHFFFAOYSA-N
XLogP4.78
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.61
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide (CID 10674178) is 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(CCCC2(c3ccc(Cl)cc3Cl)OCCO2)cnc1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is ABHMNCORCPNUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35Cl2N3O4SSi/c1-22(2,3)34(6,7)21-26-16-18(28(21)33(29,30)27(4)5)9-8-12-23(31-13-14-32-23)19-11-10-17(24)15-20(19)25/h10-11,15-16H,8-9,12-14H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide?
2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 548.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 10674178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).