4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C19H14F3NO3S — CID 3478087

IUPAC4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-6-15(13-14)23-27(24,25)18-11-9-17(10-12-18)26-16-7-2-1-3-8-16/h1-13,23H
InChIKeyJWGFERAFBSFLRQ-UHFFFAOYSA-N
MW393.39 g/mol
LogP5.30
Rot. Bonds5

About 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3478087) has the molecular formula C19H14F3NO3S and a molecular weight of 393.39 g/mol. Its IUPAC name is 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3478087
Molecular FormulaC19H14F3NO3S
Molecular Weight393.39 g/mol
Exact Mass393.06
IUPAC Name4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-6-15(13-14)23-27(24,25)18-11-9-17(10-12-18)26-16-7-2-1-3-8-16/h1-13,23H
InChIKeyJWGFERAFBSFLRQ-UHFFFAOYSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
1-[[4-(sulfinatoamino)phenyl]sulfonylamino]-3-(trifluoromethyl)benzene
CID 162773483
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3478087) is 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JWGFERAFBSFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-6-15(13-14)23-27(24,25)18-11-9-17(10-12-18)26-16-7-2-1-3-8-16/h1-13,23H.
What are the key properties of 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 393.39 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3478087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).