N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

C19H14F3NO3S — CID 21210483

IUPACN-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H
InChIKeyPVKYGQVDOOMAHJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP5.30
Rot. Bonds5

About N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 21210483) has the molecular formula C19H14F3NO3S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID21210483
Molecular FormulaC19H14F3NO3S
Molecular Weight393.39 g/mol
Exact Mass393.06
IUPAC NameN-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H
InChIKeyPVKYGQVDOOMAHJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 21210483) is N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PVKYGQVDOOMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3S/c20-19(21,22)14-5-4-8-18(13-14)27(24,25)23-15-9-11-17(12-10-15)26-16-6-2-1-3-7-16/h1-13,23H.
What are the key properties of N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-phenoxyphenyl)-3-(trifluoromethyl)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 N-(4-phenoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 21210483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).