N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide

C12H16F3NO2S — CID 118028245

IUPACN-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2S/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-19(4,17)18/h5-7,16H,1-4H3
InChIKeyWLIWNIDPKWXOOU-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.37
Rot. Bonds2

About N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide

N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 118028245) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID118028245
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC NameN-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2S/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-19(4,17)18/h5-7,16H,1-4H3
InChIKeyWLIWNIDPKWXOOU-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 2805852
3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
CID 131522513
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
N-[3,5-bis(trifluoromethyl)phenyl]-2-(sulfanylmethyl)thiophene-3-sulfonamide
CID 20624333
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 116700912
1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
CID 139378807
N-(3,5-difluoro-4-methylphenyl)methanesulfonamide
CID 166140237
tetrakis(N-[3,5-bis(trifluoromethyl)phenyl]sulfamate);tetrakis(tetrabutylazanium)
CID 139182956

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide (CID 118028245) is N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide is CC(C)(C)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is WLIWNIDPKWXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-11(2,3)8-5-9(12(13,14)15)7-10(6-8)16-19(4,17)18/h5-7,16H,1-4H3.
What are the key properties of N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 118028245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).