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

C15H15F4NO2S2 — CID 168898729

IUPACN-ethyl-5-methyl-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(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/t14-/m1/s1
InChIKeyCHLXBZWEQZPZJI-CQSZACIVSA-N
MW381.42 g/mol
LogP4.51
Rot. Bonds5

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

N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 168898729) has the molecular formula C15H15F4NO2S2 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID168898729
Molecular FormulaC15H15F4NO2S2
Molecular Weight381.42 g/mol
Exact Mass381.05
IUPAC NameN-ethyl-5-methyl-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(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/t14-/m1/s1
InChIKeyCHLXBZWEQZPZJI-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 168898729) is N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-methyl-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(C)s1.
What is the InChIKey of N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CHLXBZWEQZPZJI-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of N-ethyl-5-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
N-ethyl-5-methyl-N-[(1R)-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-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 168898729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).