5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride

C15H19ClO4S2Si — CID 10548466

IUPAC5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride
SMILESCOc1ccc(C(O[Si](C)(C)C)c2cc(S(=O)(=O)Cl)cs2)cc1
InChIInChI=1S/C15H19ClO4S2Si/c1-19-12-7-5-11(6-8-12)15(20-23(2,3)4)14-9-13(10-21-14)22(16,17)18/h5-10,15H,1-4H3
InChIKeyCEDLVOXHTQQKAU-UHFFFAOYSA-N
MW390.99 g/mol
LogP4.63
Rot. Bonds6

About 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride

5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride (PubChem CID 10548466) has the molecular formula C15H19ClO4S2Si and a molecular weight of 390.99 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride
PubChem CID10548466
Molecular FormulaC15H19ClO4S2Si
Molecular Weight390.99 g/mol
Exact Mass390.02
IUPAC Name5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride
SMILESCOc1ccc(C(O[Si](C)(C)C)c2cc(S(=O)(=O)Cl)cs2)cc1
InChIInChI=1S/C15H19ClO4S2Si/c1-19-12-7-5-11(6-8-12)15(20-23(2,3)4)14-9-13(10-21-14)22(16,17)18/h5-10,15H,1-4H3
InChIKeyCEDLVOXHTQQKAU-UHFFFAOYSA-N
XLogP4.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.99
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride?
The IUPAC name of 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride (CID 10548466) is 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride?
The canonical SMILES for 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride is COc1ccc(C(O[Si](C)(C)C)c2cc(S(=O)(=O)Cl)cs2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride?
The InChIKey is CEDLVOXHTQQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4S2Si/c1-19-12-7-5-11(6-8-12)15(20-23(2,3)4)14-9-13(10-21-14)22(16,17)18/h5-10,15H,1-4H3.
What are the key properties of 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride?
5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride has a molecular weight of 390.99 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonyl chloride is sourced from PubChem (CID 10548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).