5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

C13H10F5NO2S2 — CID 168898706

IUPAC5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C13H10F5NO2S2/c1-19(23(20,21)11-7-6-10(15)22-11)12(13(16,17)18)8-2-4-9(14)5-3-8/h2-7,12H,1H3
InChIKeyWCBPKEHODWDIBK-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.95
Rot. Bonds4

About 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 168898706) has the molecular formula C13H10F5NO2S2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID168898706
Molecular FormulaC13H10F5NO2S2
Molecular Weight371.35 g/mol
Exact Mass371.01
IUPAC Name5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C13H10F5NO2S2/c1-19(23(20,21)11-7-6-10(15)22-11)12(13(16,17)18)8-2-4-9(14)5-3-8/h2-7,12H,1H3
InChIKeyWCBPKEHODWDIBK-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 168898706) is 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WCBPKEHODWDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NO2S2/c1-19(23(20,21)11-7-6-10(15)22-11)12(13(16,17)18)8-2-4-9(14)5-3-8/h2-7,12H,1H3.
What are the key properties of 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 371.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168898706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).