4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C20H15ClF2N6O3S2 — CID 142788196

IUPAC4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)c(-c2ncns2)c1F
InChIInChI=1S/C20H15ClF2N6O3S2/c21-10-1-2-15(12(5-10)14-3-4-27-29(14)11-7-25-8-11)32-19-13(22)6-16(34(24,30)31)18(23)17(19)20-26-9-28-33-20/h1-6,9,11,25H,7-8H2,(H2,24,30,31)
InChIKeyCWGGFQCNQGHVGM-UHFFFAOYSA-N
MW524.96 g/mol
LogP3.58
Rot. Bonds6

About 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 142788196) has the molecular formula C20H15ClF2N6O3S2 and a molecular weight of 524.96 g/mol. Its IUPAC name is 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID142788196
Molecular FormulaC20H15ClF2N6O3S2
Molecular Weight524.96 g/mol
Exact Mass524.03
IUPAC Name4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)c(-c2ncns2)c1F
InChIInChI=1S/C20H15ClF2N6O3S2/c21-10-1-2-15(12(5-10)14-3-4-27-29(14)11-7-25-8-11)32-19-13(22)6-16(34(24,30)31)18(23)17(19)20-26-9-28-33-20/h1-6,9,11,25H,7-8H2,(H2,24,30,31)
InChIKeyCWGGFQCNQGHVGM-UHFFFAOYSA-N
XLogP3.58
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.96
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)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-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 142788196) is 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)c(-c2ncns2)c1F.
What is the InChIKey of 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is CWGGFQCNQGHVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O3S2/c21-10-1-2-15(12(5-10)14-3-4-27-29(14)11-7-25-8-11)32-19-13(22)6-16(34(24,30)31)18(23)17(19)20-26-9-28-33-20/h1-6,9,11,25H,7-8H2,(H2,24,30,31).
What are the key properties of 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 524.96 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]-2,5-difluoro-3-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 142788196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).