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

C15H15F4NO2S2 — CID 168899072

IUPACN-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C15H15F4NO2S2/c1-3-20(24(21,22)13-9-4-10(2)23-13)14(15(17,18)19)11-5-7-12(16)8-6-11/h4-9,14H,3H2,1-2H3
InChIKeyCHLXBZWEQZPZJI-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.51
Rot. Bonds5

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

N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 168899072) has the molecular formula C15H15F4NO2S2 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID168899072
Molecular FormulaC15H15F4NO2S2
Molecular Weight381.42 g/mol
Exact Mass381.05
IUPAC NameN-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C15H15F4NO2S2/c1-3-20(24(21,22)13-9-4-10(2)23-13)14(15(17,18)19)11-5-7-12(16)8-6-11/h4-9,14H,3H2,1-2H3
InChIKeyCHLXBZWEQZPZJI-UHFFFAOYSA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-isocyano-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 177099798
2-cyano-N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 168898958
N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide
CID 168898607
5-fluoro-N-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 168898706
N-ethyl-5-isocyano-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-3-sulfonamide
CID 177099805
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 168898566
N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide
CID 175581134
N-ethyl-3-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzimidazole-5-sulfonamide
CID 175581112
N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-sulfonamide
CID 175901429
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3-(2-trimethylsilylethoxymethyl)triazole-4-sulfonamide
CID 172551692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 168899072) is N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CHLXBZWEQZPZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO2S2/c1-3-20(24(21,22)13-9-4-10(2)23-13)14(15(17,18)19)11-5-7-12(16)8-6-11/h4-9,14H,3H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 381.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168899072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).