4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride

C10H15FO4SSi — CID 167732484

IUPAC4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1O[Si](C)(C)C
InChIInChI=1S/C10H15FO4SSi/c1-14-9-6-5-8(16(11,12)13)7-10(9)15-17(2,3)4/h5-7H,1-4H3
InChIKeyISAKESJRZWZJGP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.57
Rot. Bonds4

About 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride

4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride (PubChem CID 167732484) has the molecular formula C10H15FO4SSi and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride
PubChem CID167732484
Molecular FormulaC10H15FO4SSi
Molecular Weight278.38 g/mol
Exact Mass278.04
IUPAC Name4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1O[Si](C)(C)C
InChIInChI=1S/C10H15FO4SSi/c1-14-9-6-5-8(16(11,12)13)7-10(9)15-17(2,3)4/h5-7H,1-4H3
InChIKeyISAKESJRZWZJGP-UHFFFAOYSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethynylsulfonyl-1,2-dimethoxybenzene
CID 10176908
CID 118692692
CID 118692692
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
3,4-bis(2-bromo-1,1,2,2-tetrafluoroethoxy)benzenesulfonyl fluoride
CID 20675566
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3,4-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 35521053
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
2-amino-2-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroacetic acid
CID 141144852

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride?
The IUPAC name of 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride (CID 167732484) is 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride.
What is the SMILES notation for 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride?
The canonical SMILES for 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride is COc1ccc(S(=O)(=O)F)cc1O[Si](C)(C)C.
What is the InChIKey of 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride?
The InChIKey is ISAKESJRZWZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4SSi/c1-14-9-6-5-8(16(11,12)13)7-10(9)15-17(2,3)4/h5-7H,1-4H3.
What are the key properties of 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride?
4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride has a molecular weight of 278.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-trimethylsilyloxybenzenesulfonyl fluoride is sourced from PubChem (CID 167732484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).