4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide

C18H12ClF3N2O3S — CID 1471205

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H
InChIKeyBIDHLDZOWYWTMV-UHFFFAOYSA-N
MW428.82 g/mol
LogP5.35
Rot. Bonds5

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide (PubChem CID 1471205) has the molecular formula C18H12ClF3N2O3S and a molecular weight of 428.82 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide
PubChem CID1471205
Molecular FormulaC18H12ClF3N2O3S
Molecular Weight428.82 g/mol
Exact Mass428.02
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H
InChIKeyBIDHLDZOWYWTMV-UHFFFAOYSA-N
XLogP5.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide (CID 1471205) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide?
The InChIKey is BIDHLDZOWYWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O3S/c19-16-10-12(18(20,21)22)11-23-17(16)27-14-6-8-15(9-7-14)28(25,26)24-13-4-2-1-3-5-13/h1-11,24H.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide has a molecular weight of 428.82 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1471205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).