N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide

C17H18F3NO2S — CID 43001318

IUPACN-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C17H18F3NO2S/c1-3-15(13-10-8-12(2)9-11-13)21-24(22,23)16-7-5-4-6-14(16)17(18,19)20/h4-11,15,21H,3H2,1-2H3
InChIKeyCGJJBHIHXKFJAG-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 43001318) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID43001318
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C17H18F3NO2S/c1-3-15(13-10-8-12(2)9-11-13)21-24(22,23)16-7-5-4-6-14(16)17(18,19)20/h4-11,15,21H,3H2,1-2H3
InChIKeyCGJJBHIHXKFJAG-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
7-(4-fluorophenyl)-7-[[2-(trifluoromethyl)phenyl]sulfonylamino]heptanoic acid
CID 139616889
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 62652720
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55938707
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838158
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide (CID 43001318) is N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CGJJBHIHXKFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-3-15(13-10-8-12(2)9-11-13)21-24(22,23)16-7-5-4-6-14(16)17(18,19)20/h4-11,15,21H,3H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43001318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).