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

C14H12F3NO4S — CID 91020906

IUPAC[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO4S/c15-14(16,17)22-13-7-5-12(6-8-13)21-11-3-1-10(2-4-11)9-23(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyASDAXNICABONET-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.17
Rot. Bonds5

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

[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide (PubChem CID 91020906) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
PubChem CID91020906
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC Name[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO4S/c15-14(16,17)22-13-7-5-12(6-8-13)21-11-3-1-10(2-4-11)9-23(18,19)20/h1-8H,9H2,(H2,18,19,20)
InChIKeyASDAXNICABONET-UHFFFAOYSA-N
XLogP3.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728
N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 86807415
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
CID 154106189
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide
CID 175108202

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide (CID 91020906) is [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
The InChIKey is ASDAXNICABONET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c15-14(16,17)22-13-7-5-12(6-8-13)21-11-3-1-10(2-4-11)9-23(18,19)20/h1-8H,9H2,(H2,18,19,20).
What are the key properties of [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide?
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide has a molecular weight of 347.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 91020906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).