4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide

C19H11ClF3N3O3S — CID 71655017

IUPAC4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
SMILESN#Cc1ccc(C(F)(F)F)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H11ClF3N3O3S/c20-13-5-7-16(8-6-13)30(27,28)26-14-2-1-3-15(10-14)29-18-12(11-24)4-9-17(25-18)19(21,22)23/h1-10,26H
InChIKeySCXUAEJEQZMUEV-UHFFFAOYSA-N
MW453.83 g/mol
LogP5.22
Rot. Bonds5

About 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide

4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide (PubChem CID 71655017) has the molecular formula C19H11ClF3N3O3S and a molecular weight of 453.83 g/mol. Its IUPAC name is 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
PubChem CID71655017
Molecular FormulaC19H11ClF3N3O3S
Molecular Weight453.83 g/mol
Exact Mass453.02
IUPAC Name4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
SMILESN#Cc1ccc(C(F)(F)F)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H11ClF3N3O3S/c20-13-5-7-16(8-6-13)30(27,28)26-14-2-1-3-15(10-14)29-18-12(11-24)4-9-17(25-18)19(21,22)23/h1-10,26H
InChIKeySCXUAEJEQZMUEV-UHFFFAOYSA-N
XLogP5.22
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.83
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide (CID 71655017) is 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide is N#Cc1ccc(C(F)(F)F)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
The InChIKey is SCXUAEJEQZMUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O3S/c20-13-5-7-16(8-6-13)30(27,28)26-14-2-1-3-15(10-14)29-18-12(11-24)4-9-17(25-18)19(21,22)23/h1-10,26H.
What are the key properties of 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide?
4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide has a molecular weight of 453.83 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 71655017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).