4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide

C22H15F2N3O4S2 — CID 11179271

IUPAC4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2nnc(Oc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H15F2N3O4S2/c23-16-5-9-18(10-6-16)25-20(28)15-3-1-14(2-4-15)13-33(29,30)22-27-26-21(32-22)31-19-11-7-17(24)8-12-19/h1-12H,13H2,(H,25,28)
InChIKeyPZYIDOHFSDUTQL-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.83
Rot. Bonds7

About 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide

4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide (PubChem CID 11179271) has the molecular formula C22H15F2N3O4S2 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide
PubChem CID11179271
Molecular FormulaC22H15F2N3O4S2
Molecular Weight487.51 g/mol
Exact Mass487.05
IUPAC Name4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2nnc(Oc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H15F2N3O4S2/c23-16-5-9-18(10-6-16)25-20(28)15-3-1-14(2-4-15)13-33(29,30)22-27-26-21(32-22)31-19-11-7-17(24)8-12-19/h1-12H,13H2,(H,25,28)
InChIKeyPZYIDOHFSDUTQL-UHFFFAOYSA-N
XLogP4.83
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-4-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide
CID 11784986
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
(2S)-2-(4-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 27505737
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
2-[3-[[5-[(4-carbamoylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetic acid
CID 11774841
4-fluoro-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17012985
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide (CID 11179271) is 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2nnc(Oc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide?
The InChIKey is PZYIDOHFSDUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O4S2/c23-16-5-9-18(10-6-16)25-20(28)15-3-1-14(2-4-15)13-33(29,30)22-27-26-21(32-22)31-19-11-7-17(24)8-12-19/h1-12H,13H2,(H,25,28).
What are the key properties of 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide?
4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide has a molecular weight of 487.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]sulfonylmethyl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 11179271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).