5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide

C14H18FNO3S2Si — CID 10808430

IUPAC5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESC[Si](C)(C)OC(c1cccc(F)c1)c1cc(S(N)(=O)=O)cs1
InChIInChI=1S/C14H18FNO3S2Si/c1-22(2,3)19-14(10-5-4-6-11(15)7-10)13-8-12(9-20-13)21(16,17)18/h4-9,14H,1-3H3,(H2,16,17,18)
InChIKeyAFVDRSLRSOFKSM-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.48
Rot. Bonds5

About 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide

5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide (PubChem CID 10808430) has the molecular formula C14H18FNO3S2Si and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
PubChem CID10808430
Molecular FormulaC14H18FNO3S2Si
Molecular Weight359.52 g/mol
Exact Mass359.05
IUPAC Name5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESC[Si](C)(C)OC(c1cccc(F)c1)c1cc(S(N)(=O)=O)cs1
InChIInChI=1S/C14H18FNO3S2Si/c1-22(2,3)19-14(10-5-4-6-11(15)7-10)13-8-12(9-20-13)21(16,17)18/h4-9,14H,1-3H3,(H2,16,17,18)
InChIKeyAFVDRSLRSOFKSM-UHFFFAOYSA-N
XLogP3.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.48
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 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide (CID 10808430) is 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide is C[Si](C)(C)OC(c1cccc(F)c1)c1cc(S(N)(=O)=O)cs1.
What is the InChIKey of 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The InChIKey is AFVDRSLRSOFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S2Si/c1-22(2,3)19-14(10-5-4-6-11(15)7-10)13-8-12(9-20-13)21(16,17)18/h4-9,14H,1-3H3,(H2,16,17,18).
What are the key properties of 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide has a molecular weight of 359.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10808430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).