N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

C20H15F4NO3S — CID 169373451

IUPACN-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F4NO3S/c1-13-2-9-17(10-3-13)29(26,27)25-19-11-8-16(12-18(19)20(22,23)24)28-15-6-4-14(21)5-7-15/h2-12,25H,1H3
InChIKeyWZOVSTUYHHESOR-UHFFFAOYSA-N
MW425.40 g/mol
LogP5.75
Rot. Bonds5

About N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide

N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169373451) has the molecular formula C20H15F4NO3S and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169373451
Molecular FormulaC20H15F4NO3S
Molecular Weight425.40 g/mol
Exact Mass425.07
IUPAC NameN-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F4NO3S/c1-13-2-9-17(10-3-13)29(26,27)25-19-11-8-16(12-18(19)20(22,23)24)28-15-6-4-14(21)5-7-15/h2-12,25H,1H3
InChIKeyWZOVSTUYHHESOR-UHFFFAOYSA-N
XLogP5.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.40
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201
N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373112
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide (CID 169373451) is N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is WZOVSTUYHHESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO3S/c1-13-2-9-17(10-3-13)29(26,27)25-19-11-8-16(12-18(19)20(22,23)24)28-15-6-4-14(21)5-7-15/h2-12,25H,1H3.
What are the key properties of N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 425.40 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).