5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide

C11H8F3NO2S3 — CID 12736857

IUPAC5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3NO2S3/c12-11(13,14)7-2-1-3-8(6-7)18-9-4-5-10(19-9)20(15,16)17/h1-6H,(H2,15,16,17)
InChIKeyXXTHNTZWXRFFOG-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.57
Rot. Bonds3

About 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide

5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide (PubChem CID 12736857) has the molecular formula C11H8F3NO2S3 and a molecular weight of 339.38 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide
PubChem CID12736857
Molecular FormulaC11H8F3NO2S3
Molecular Weight339.38 g/mol
Exact Mass338.97
IUPAC Name5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3NO2S3/c12-11(13,14)7-2-1-3-8(6-7)18-9-4-5-10(19-9)20(15,16)17/h1-6H,(H2,15,16,17)
InChIKeyXXTHNTZWXRFFOG-UHFFFAOYSA-N
XLogP3.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide (CID 12736857) is 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(Sc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide?
The InChIKey is XXTHNTZWXRFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S3/c12-11(13,14)7-2-1-3-8(6-7)18-9-4-5-10(19-9)20(15,16)17/h1-6H,(H2,15,16,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide?
5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).