N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide

C18H14ClFN2O3S — CID 57404709

IUPACN-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H14ClFN2O3S/c1-26(23,24)22-18-11-13(19)10-17(21-18)12-2-6-15(7-3-12)25-16-8-4-14(20)5-9-16/h2-11H,1H3,(H,21,22)
InChIKeyYVOKYSRHWQGZLV-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.70
Rot. Bonds5

About N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide

N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 57404709) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
PubChem CID57404709
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC NameN-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H14ClFN2O3S/c1-26(23,24)22-18-11-13(19)10-17(21-18)12-2-6-15(7-3-12)25-16-8-4-14(20)5-9-16/h2-11H,1H3,(H,21,22)
InChIKeyYVOKYSRHWQGZLV-UHFFFAOYSA-N
XLogP4.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide 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 N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide (CID 57404709) is N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is YVOKYSRHWQGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c1-26(23,24)22-18-11-13(19)10-17(21-18)12-2-6-15(7-3-12)25-16-8-4-14(20)5-9-16/h2-11H,1H3,(H,21,22).
What are the key properties of N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide?
N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 392.84 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 57404709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).