4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C17H18F3NO2S — CID 22774163

IUPAC4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-3-12(2)13-8-10-14(11-9-13)24(22,23)21-16-7-5-4-6-15(16)17(18,19)20/h4-12,21H,3H2,1-2H3
InChIKeyGMFOCJZSPYLSJV-UHFFFAOYSA-N
MW357.40 g/mol
LogP5.02
Rot. Bonds5

About 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22774163) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22774163
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-3-12(2)13-8-10-14(11-9-13)24(22,23)21-16-7-5-4-6-15(16)17(18,19)20/h4-12,21H,3H2,1-2H3
InChIKeyGMFOCJZSPYLSJV-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
CID 12503957
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 60534416
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22774163) is 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is GMFOCJZSPYLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-3-12(2)13-8-10-14(11-9-13)24(22,23)21-16-7-5-4-6-15(16)17(18,19)20/h4-12,21H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22774163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).