1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide

C10H11F4NO2S — CID 130409599

IUPAC1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F4NO2S/c1-6(2)8-5-7(11)3-4-9(8)15-18(16,17)10(12,13)14/h3-6,15H,1-2H3
InChIKeyGIGDKOZFIOBQHZ-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.21
Rot. Bonds3

About 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide

1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide (PubChem CID 130409599) has the molecular formula C10H11F4NO2S and a molecular weight of 285.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
PubChem CID130409599
Molecular FormulaC10H11F4NO2S
Molecular Weight285.26 g/mol
Exact Mass285.04
IUPAC Name1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F4NO2S/c1-6(2)8-5-7(11)3-4-9(8)15-18(16,17)10(12,13)14/h3-6,15H,1-2H3
InChIKeyGIGDKOZFIOBQHZ-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611
(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
CID 141071562
1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
CID 134177615
3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 60532983
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-fluorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 25096132
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
4-fluoro-N-(1-methoxypropan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 62891619
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
4-cyano-2-(4-fluoro-2-propan-2-ylanilino)benzoic acid
CID 155452568
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide (CID 130409599) is 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide is CC(C)c1cc(F)ccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is GIGDKOZFIOBQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2S/c1-6(2)8-5-7(11)3-4-9(8)15-18(16,17)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 285.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 130409599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).