[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

C17H28BrNO3SSi — CID 174573135

IUPAC[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCNC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO3SSi/c1-17(2,3)24(4,5)22-12-13-10-11-19-16(13)23(20,21)15-8-6-14(18)7-9-15/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyTWVGNNBEZHRFDM-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.18
Rot. Bonds5

About [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 174573135) has the molecular formula C17H28BrNO3SSi and a molecular weight of 434.47 g/mol. Its IUPAC name is [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID174573135
Molecular FormulaC17H28BrNO3SSi
Molecular Weight434.47 g/mol
Exact Mass433.07
IUPAC Name[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCNC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO3SSi/c1-17(2,3)24(4,5)22-12-13-10-11-19-16(13)23(20,21)15-8-6-14(18)7-9-15/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyTWVGNNBEZHRFDM-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 174573135) is [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CCNC1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is TWVGNNBEZHRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO3SSi/c1-17(2,3)24(4,5)22-12-13-10-11-19-16(13)23(20,21)15-8-6-14(18)7-9-15/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
[2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 434.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)sulfonylpyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174573135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).