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

C14H12F5NO2S2 — CID 168898444

IUPACN-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C14H12F5NO2S2/c1-2-20(24(21,22)12-8-7-11(16)23-12)13(14(17,18)19)9-3-5-10(15)6-4-9/h3-8,13H,2H2,1H3/t13-/m1/s1
InChIKeyOTUBZOXJAJENIJ-CYBMUJFWSA-N
MW385.38 g/mol
LogP4.34
Rot. Bonds5

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

N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 168898444) has the molecular formula C14H12F5NO2S2 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID168898444
Molecular FormulaC14H12F5NO2S2
Molecular Weight385.38 g/mol
Exact Mass385.02
IUPAC NameN-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C14H12F5NO2S2/c1-2-20(24(21,22)12-8-7-11(16)23-12)13(14(17,18)19)9-3-5-10(15)6-4-9/h3-8,13H,2H2,1H3/t13-/m1/s1
InChIKeyOTUBZOXJAJENIJ-CYBMUJFWSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 168898444) is N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)s1.
What is the InChIKey of N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is OTUBZOXJAJENIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F5NO2S2/c1-2-20(24(21,22)12-8-7-11(16)23-12)13(14(17,18)19)9-3-5-10(15)6-4-9/h3-8,13H,2H2,1H3/t13-/m1/s1.
What are the key properties of N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 385.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168898444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).