[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol

C20H17F3N2O3S — CID 167903394

IUPAC[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol
SMILES[H]N=S(=O)(c1ccc(Nc2ccc(Oc3ccc(CO)cc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3S/c21-20(22,23)29(24,27)19-11-5-16(6-12-19)25-15-3-9-18(10-4-15)28-17-7-1-14(13-26)2-8-17/h1-12,24-26H,13H2
InChIKeyAPDOXZOFRHZFDJ-UHFFFAOYSA-N
MW422.43 g/mol
LogP5.64
Rot. Bonds6

About [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol

[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol (PubChem CID 167903394) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol
PubChem CID167903394
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol
SMILES[H]N=S(=O)(c1ccc(Nc2ccc(Oc3ccc(CO)cc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3S/c21-20(22,23)29(24,27)19-11-5-16(6-12-19)25-15-3-9-18(10-4-15)28-17-7-1-14(13-26)2-8-17/h1-12,24-26H,13H2
InChIKeyAPDOXZOFRHZFDJ-UHFFFAOYSA-N
XLogP5.64
TPSA82.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol?
The IUPAC name of [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol (CID 167903394) is [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol is [H]N=S(=O)(c1ccc(Nc2ccc(Oc3ccc(CO)cc3)cc2)cc1)C(F)(F)F.
What is the InChIKey of [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol?
The InChIKey is APDOXZOFRHZFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c21-20(22,23)29(24,27)19-11-5-16(6-12-19)25-15-3-9-18(10-4-15)28-17-7-1-14(13-26)2-8-17/h1-12,24-26H,13H2.
What are the key properties of [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol?
[4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol has a molecular weight of 422.43 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(trifluoromethylsulfonimidoyl)anilino]phenoxy]phenyl]methanol is sourced from PubChem (CID 167903394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).