N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C15H10F7NO3S — CID 3543365

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F7NO3S/c16-13-7-10(14(17,18)19)2-1-9(13)8-23-27(24,25)12-5-3-11(4-6-12)26-15(20,21)22/h1-7,23H,8H2
InChIKeyWGHULDMECONSMU-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.22
Rot. Bonds5

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3543365) has the molecular formula C15H10F7NO3S and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3543365
Molecular FormulaC15H10F7NO3S
Molecular Weight417.30 g/mol
Exact Mass417.03
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F7NO3S/c16-13-7-10(14(17,18)19)2-1-9(13)8-23-27(24,25)12-5-3-11(4-6-12)26-15(20,21)22/h1-7,23H,8H2
InChIKeyWGHULDMECONSMU-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3543365) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WGHULDMECONSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F7NO3S/c16-13-7-10(14(17,18)19)2-1-9(13)8-23-27(24,25)12-5-3-11(4-6-12)26-15(20,21)22/h1-7,23H,8H2.
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 417.30 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3543365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).