(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride

C20H25ClFNO3SSi — CID 140882014

IUPAC(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride
SMILESCC(C)(C)[Si](O[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25ClFNO3SSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-23(14-18(19)22)27(21,24)25/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyZVQUGMWQTYKFAB-OALUTQOASA-N
MW442.03 g/mol
LogP3.07
Rot. Bonds5

About (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride

(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride (PubChem CID 140882014) has the molecular formula C20H25ClFNO3SSi and a molecular weight of 442.03 g/mol. Its IUPAC name is (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride
PubChem CID140882014
Molecular FormulaC20H25ClFNO3SSi
Molecular Weight442.03 g/mol
Exact Mass441.10
IUPAC Name(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride
SMILESCC(C)(C)[Si](O[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25ClFNO3SSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-23(14-18(19)22)27(21,24)25/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyZVQUGMWQTYKFAB-OALUTQOASA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride 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 (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride (CID 140882014) is (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride is CC(C)(C)[Si](O[C@H]1CN(S(=O)(=O)Cl)C[C@@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride?
The InChIKey is ZVQUGMWQTYKFAB-OALUTQOASA-N. The full InChI is InChI=1S/C20H25ClFNO3SSi/c1-20(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-19-15-23(14-18(19)22)27(21,24)25/h4-13,18-19H,14-15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride?
(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride has a molecular weight of 442.03 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluoropyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 140882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).