N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C17H18F3NO3S — CID 142170744

IUPACN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO3S/c1-12(2)11-21-25(22,23)16-9-7-15(8-10-16)24-14-5-3-13(4-6-14)17(18,19)20/h3-10,12,21H,11H2,1-2H3
InChIKeyLECYQCTZSSLHLZ-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.43
Rot. Bonds6

About N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 142170744) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID142170744
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO3S/c1-12(2)11-21-25(22,23)16-9-7-15(8-10-16)24-14-5-3-13(4-6-14)17(18,19)20/h3-10,12,21H,11H2,1-2H3
InChIKeyLECYQCTZSSLHLZ-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[2-[4-(4-chlorophenoxy)anilino]-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 59485820

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 142170744) is N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is LECYQCTZSSLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-12(2)11-21-25(22,23)16-9-7-15(8-10-16)24-14-5-3-13(4-6-14)17(18,19)20/h3-10,12,21H,11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 142170744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).