3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide

C19H23BrN2O5SSi — CID 136631412

IUPAC3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide
SMILESC[Si](C)(C)Oc1c(NS(=O)(=O)CCCBr)oc(-c2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H23BrN2O5SSi/c1-29(2,3)27-18-16(23)17(26-19(18)22-28(24,25)12-6-11-20)15-10-9-13-7-4-5-8-14(13)21-15/h4-5,7-10,22-23H,6,11-12H2,1-3H3
InChIKeyNTPRCCWPFXIARU-UHFFFAOYSA-N
MW499.46 g/mol
LogP4.94
Rot. Bonds8

About 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide

3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide (PubChem CID 136631412) has the molecular formula C19H23BrN2O5SSi and a molecular weight of 499.46 g/mol. Its IUPAC name is 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide
PubChem CID136631412
Molecular FormulaC19H23BrN2O5SSi
Molecular Weight499.46 g/mol
Exact Mass498.03
IUPAC Name3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide
SMILESC[Si](C)(C)Oc1c(NS(=O)(=O)CCCBr)oc(-c2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H23BrN2O5SSi/c1-29(2,3)27-18-16(23)17(26-19(18)22-28(24,25)12-6-11-20)15-10-9-13-7-4-5-8-14(13)21-15/h4-5,7-10,22-23H,6,11-12H2,1-3H3
InChIKeyNTPRCCWPFXIARU-UHFFFAOYSA-N
XLogP4.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-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 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide (CID 136631412) is 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide is C[Si](C)(C)Oc1c(NS(=O)(=O)CCCBr)oc(-c2ccc3ccccc3n2)c1O.
What is the InChIKey of 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide?
The InChIKey is NTPRCCWPFXIARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5SSi/c1-29(2,3)27-18-16(23)17(26-19(18)22-28(24,25)12-6-11-20)15-10-9-13-7-4-5-8-14(13)21-15/h4-5,7-10,22-23H,6,11-12H2,1-3H3.
What are the key properties of 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide?
3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide has a molecular weight of 499.46 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-hydroxy-5-quinolin-2-yl-3-trimethylsilyloxyfuran-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 136631412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).