N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide

C20H14F5NO3S — CID 169373112

IUPACN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3F)cc2)cc1
InChIInChI=1S/C20H14F5NO3S/c1-12-2-8-16(9-3-12)30(27,28)26-14-4-6-15(7-5-14)29-19-17(21)10-13(11-18(19)22)20(23,24)25/h2-11,26H,1H3
InChIKeyDGMCYQIDRMBLOM-UHFFFAOYSA-N
MW443.39 g/mol
LogP5.89
Rot. Bonds5

About N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide

N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169373112) has the molecular formula C20H14F5NO3S and a molecular weight of 443.39 g/mol. Its IUPAC name is N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID169373112
Molecular FormulaC20H14F5NO3S
Molecular Weight443.39 g/mol
Exact Mass443.06
IUPAC NameN-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3F)cc2)cc1
InChIInChI=1S/C20H14F5NO3S/c1-12-2-8-16(9-3-12)30(27,28)26-14-4-6-15(7-5-14)29-19-17(21)10-13(11-18(19)22)20(23,24)25/h2-11,26H,1H3
InChIKeyDGMCYQIDRMBLOM-UHFFFAOYSA-N
XLogP5.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluorophenyl]-4-methylbenzenesulfonamide
CID 169373189
N-[5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluoro-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373196
N-[5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-fluoro-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169373194
N-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373206
N-[3-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]-4-methylbenzenesulfonamide
CID 169373177
N-[5-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373188
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
N-(3,5-difluoro-4-propan-2-yloxyphenyl)-4-methylbenzenesulfonamide
CID 169372950
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373451

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide (CID 169373112) is N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3F)cc2)cc1.
What is the InChIKey of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DGMCYQIDRMBLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5NO3S/c1-12-2-8-16(9-3-12)30(27,28)26-14-4-6-15(7-5-14)29-19-17(21)10-13(11-18(19)22)20(23,24)25/h2-11,26H,1H3.
What are the key properties of N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide?
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 443.39 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).