[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane

C12H15BrN2O2SSi — CID 5324096

IUPAC[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane
SMILESC[Si](C)(C)c1c(Br)cnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15BrN2O2SSi/c1-19(2,3)12-11(13)9-14-15(12)18(16,17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyJTBWWCRSWGJOCB-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.43
Rot. Bonds3

About [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane

[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane (PubChem CID 5324096) has the molecular formula C12H15BrN2O2SSi and a molecular weight of 359.32 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane
PubChem CID5324096
Molecular FormulaC12H15BrN2O2SSi
Molecular Weight359.32 g/mol
Exact Mass357.98
IUPAC Name[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane
SMILESC[Si](C)(C)c1c(Br)cnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15BrN2O2SSi/c1-19(2,3)12-11(13)9-14-15(12)18(16,17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyJTBWWCRSWGJOCB-UHFFFAOYSA-N
XLogP2.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

4-Bromo-1-(phenylsulfonyl)pyrazole
CID 6468394
1-Benzenesulfonylpyrazole
CID 588934
1-((2-Bromophenyl)sulfonyl)-1H-pyrazole
CID 26370015
1-((4-Bromophenyl)sulfonyl)-1H-pyrazole
CID 844586
1h-Pyrazol-1-yl benzenesulfonamide
CID 22315462
4-Iodo-1-phenylsulfonyl-1H-pyrazole
CID 9974099
4-bromo-1-tosyl-1H-pyrazole
CID 14041591
1-(Benzenesulfonyl)-4-methylpyrazole
CID 14361426
Trimethyl-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]silane
CID 15932791
4-Bromo-1-(2,5-difluorophenyl)sulfonylpyrazole
CID 6469422
1-[(3,4-Difluorophenyl)sulfonyl]-4-bromopyrazole
CID 17374315
4-Bromo-1-(4-fluorophenyl)sulfonylpyrazole
CID 22200717

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane (CID 5324096) is [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane is C[Si](C)(C)c1c(Br)cnn1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane?
The InChIKey is JTBWWCRSWGJOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2SSi/c1-19(2,3)12-11(13)9-14-15(12)18(16,17)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane?
[1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane has a molecular weight of 359.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-bromopyrazol-5-yl]-trimethylsilane is sourced from PubChem (CID 5324096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).