5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide

C14H17F2NO3S2Si — CID 10809613

IUPAC5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESC[Si](C)(C)OC(c1cc(F)cc(F)c1)c1cc(S(N)(=O)=O)cs1
InChIInChI=1S/C14H17F2NO3S2Si/c1-23(2,3)20-14(9-4-10(15)6-11(16)5-9)13-7-12(8-21-13)22(17,18)19/h4-8,14H,1-3H3,(H2,17,18,19)
InChIKeyUBSAIPFKQZAIER-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.61
Rot. Bonds5

About 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide

5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide (PubChem CID 10809613) has the molecular formula C14H17F2NO3S2Si and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
PubChem CID10809613
Molecular FormulaC14H17F2NO3S2Si
Molecular Weight377.51 g/mol
Exact Mass377.04
IUPAC Name5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESC[Si](C)(C)OC(c1cc(F)cc(F)c1)c1cc(S(N)(=O)=O)cs1
InChIInChI=1S/C14H17F2NO3S2Si/c1-23(2,3)20-14(9-4-10(15)6-11(16)5-9)13-7-12(8-21-13)22(17,18)19/h4-8,14H,1-3H3,(H2,17,18,19)
InChIKeyUBSAIPFKQZAIER-UHFFFAOYSA-N
XLogP3.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.61
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-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide (CID 10809613) is 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide is C[Si](C)(C)OC(c1cc(F)cc(F)c1)c1cc(S(N)(=O)=O)cs1.
What is the InChIKey of 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The InChIKey is UBSAIPFKQZAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3S2Si/c1-23(2,3)20-14(9-4-10(15)6-11(16)5-9)13-7-12(8-21-13)22(17,18)19/h4-8,14H,1-3H3,(H2,17,18,19).
What are the key properties of 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).