N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide

C22H20ClF2N3O2S — CID 10226707

IUPACN-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccnc2)C1
InChIInChI=1S/C22H20ClF2N3O2S/c1-31(29,30)28(20-10-18(24)9-19(25)11-20)21-13-27(14-21)22(16-3-2-8-26-12-16)15-4-6-17(23)7-5-15/h2-12,21-22H,13-14H2,1H3
InChIKeyTUHDYGZZOSVEIS-UHFFFAOYSA-N
MW463.94 g/mol
LogP4.25
Rot. Bonds6

About N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide

N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide (PubChem CID 10226707) has the molecular formula C22H20ClF2N3O2S and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
PubChem CID10226707
Molecular FormulaC22H20ClF2N3O2S
Molecular Weight463.94 g/mol
Exact Mass463.09
IUPAC NameN-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccnc2)C1
InChIInChI=1S/C22H20ClF2N3O2S/c1-31(29,30)28(20-10-18(24)9-19(25)11-20)21-13-27(14-21)22(16-3-2-8-26-12-16)15-4-6-17(23)7-5-15/h2-12,21-22H,13-14H2,1H3
InChIKeyTUHDYGZZOSVEIS-UHFFFAOYSA-N
XLogP4.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)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-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide (CID 10226707) is N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide is CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccnc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide?
The InChIKey is TUHDYGZZOSVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O2S/c1-31(29,30)28(20-10-18(24)9-19(25)11-20)21-13-27(14-21)22(16-3-2-8-26-12-16)15-4-6-17(23)7-5-15/h2-12,21-22H,13-14H2,1H3.
What are the key properties of N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide?
N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide has a molecular weight of 463.94 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 10226707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).