(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

C20H31BrF6N2O3SSi — CID 140966007

IUPAC(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc([C@@](C)(N[S@](=O)C(C)(C)C)C(F)(F)C(O)(O)C(F)(F)F)c1F
InChIInChI=1S/C20H31BrF6N2O3SSi/c1-8-34(9-2,10-3)12-11-13(21)28-15(14(12)22)17(7,29-33(32)16(4,5)6)18(23,24)19(30,31)20(25,26)27/h11,29-31H,8-10H2,1-7H3/t17-,33-/m1/s1
InChIKeyZOVOKFHOIKJJFJ-UAIZEJDJSA-N
MW601.52 g/mol
LogP4.84
Rot. Bonds9

About (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 140966007) has the molecular formula C20H31BrF6N2O3SSi and a molecular weight of 601.52 g/mol. Its IUPAC name is (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID140966007
Molecular FormulaC20H31BrF6N2O3SSi
Molecular Weight601.52 g/mol
Exact Mass600.09
IUPAC Name(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc([C@@](C)(N[S@](=O)C(C)(C)C)C(F)(F)C(O)(O)C(F)(F)F)c1F
InChIInChI=1S/C20H31BrF6N2O3SSi/c1-8-34(9-2,10-3)12-11-13(21)28-15(14(12)22)17(7,29-33(32)16(4,5)6)18(23,24)19(30,31)20(25,26)27/h11,29-31H,8-10H2,1-7H3/t17-,33-/m1/s1
InChIKeyZOVOKFHOIKJJFJ-UAIZEJDJSA-N
XLogP4.84
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.52
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide 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 (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (CID 140966007) is (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is CC[Si](CC)(CC)c1cc(Br)nc([C@@](C)(N[S@](=O)C(C)(C)C)C(F)(F)C(O)(O)C(F)(F)F)c1F.
What is the InChIKey of (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZOVOKFHOIKJJFJ-UAIZEJDJSA-N. The full InChI is InChI=1S/C20H31BrF6N2O3SSi/c1-8-34(9-2,10-3)12-11-13(21)28-15(14(12)22)17(7,29-33(32)16(4,5)6)18(23,24)19(30,31)20(25,26)27/h11,29-31H,8-10H2,1-7H3/t17-,33-/m1/s1.
What are the key properties of (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 601.52 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140966007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).