8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one

C19H24O3SSi — CID 11337357

IUPAC8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
SMILESC[Si](C)(C)C1=C2CCCCC(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C19H24O3SSi/c1-24(2,3)19-15-11-7-8-12-18(16(15)13-17(19)20)23(21,22)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChIKeyOYWDDCQWUXPFLN-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.44
Rot. Bonds3

About 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one

8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one (PubChem CID 11337357) has the molecular formula C19H24O3SSi and a molecular weight of 360.55 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one.

Molecular Properties

Compound Name8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
PubChem CID11337357
Molecular FormulaC19H24O3SSi
Molecular Weight360.55 g/mol
Exact Mass360.12
IUPAC Name8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
SMILESC[Si](C)(C)C1=C2CCCCC(S(=O)(=O)c3ccccc3)=C2CC1=O
InChIInChI=1S/C19H24O3SSi/c1-24(2,3)19-15-11-7-8-12-18(16(15)13-17(19)20)23(21,22)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChIKeyOYWDDCQWUXPFLN-UHFFFAOYSA-N
XLogP4.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one 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

7-(Benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
CID 10926063
3-[2-(Benzenesulfonyl)propan-2-yl]-2-methylcyclopent-2-en-1-one
CID 11832749
8-(benzenesulfonyl)-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 12046702
8-(benzenesulfonyl)-3-phenyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 12046703
1-[3-(Benzenesulfonyl)cyclopenten-1-yl]ethanone
CID 12567171
1-[3-(Benzenesulfonyl)-3-methyl-1-cyclopentenyl]-ethanone
CID 12567173
2-(Benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one
CID 12729180
3-[1-(Benzenesulfonyl)ethyl]-2-methylcyclopent-2-en-1-one
CID 15828852
2-(Benzenesulfonyl)-2-(4-trimethylsilylbut-2-enyl)cyclohexan-1-one
CID 74074484
2-(Benzenesulfonylmethyl)-3-butylcyclopent-2-en-1-one
CID 86164354
8-(benzenesulfonyl)-1-methyl-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 101730492
4,8-bis(benzenesulfonyl)-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 102279383

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The IUPAC name of 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one (CID 11337357) is 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one.
What is the SMILES notation for 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The canonical SMILES for 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one is C[Si](C)(C)C1=C2CCCCC(S(=O)(=O)c3ccccc3)=C2CC1=O.
What is the InChIKey of 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
The InChIKey is OYWDDCQWUXPFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3SSi/c1-24(2,3)19-15-11-7-8-12-18(16(15)13-17(19)20)23(21,22)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3.
What are the key properties of 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one?
8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one has a molecular weight of 360.55 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one is sourced from PubChem (CID 11337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).