[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

C14H12F3NO3S — CID 68826245

IUPAC[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c15-14(16,17)11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-22(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyHHFKPKGEBAWBFU-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.29
Rot. Bonds4

About [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide

[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (PubChem CID 68826245) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
PubChem CID68826245
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c15-14(16,17)11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-22(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyHHFKPKGEBAWBFU-UHFFFAOYSA-N
XLogP3.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide (CID 68826245) is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
The InChIKey is HHFKPKGEBAWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c15-14(16,17)11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-22(18,19)20/h1-8H,9H2,(H2,18,19,20).
What are the key properties of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide?
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 68826245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).