3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide

C8H10F3NO4S3 — CID 126831504

IUPAC3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NCCS(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4S3/c1-16-6-2-4-17-7(6)19(14,15)12-3-5-18(13)8(9,10)11/h2,4,12H,3,5H2,1H3
InChIKeyYMPRWJZTJJLAOD-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.30
Rot. Bonds6

About 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide

3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide (PubChem CID 126831504) has the molecular formula C8H10F3NO4S3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide
PubChem CID126831504
Molecular FormulaC8H10F3NO4S3
Molecular Weight337.37 g/mol
Exact Mass336.97
IUPAC Name3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NCCS(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4S3/c1-16-6-2-4-17-7(6)19(14,15)12-3-5-18(13)8(9,10)11/h2,4,12H,3,5H2,1H3
InChIKeyYMPRWJZTJJLAOD-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide (CID 126831504) is 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NCCS(=O)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YMPRWJZTJJLAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4S3/c1-16-6-2-4-17-7(6)19(14,15)12-3-5-18(13)8(9,10)11/h2,4,12H,3,5H2,1H3.
What are the key properties of 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide?
3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 337.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(trifluoromethylsulfinyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126831504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).