N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide

C21H14Cl2N4O4S — CID 121044912

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2N4O4S/c22-15-5-1-14(2-6-15)20-25-26-21(31-20)24-19(28)13-3-9-17(10-4-13)27-32(29,30)18-11-7-16(23)8-12-18/h1-12,27H,(H,24,26,28)
InChIKeyXAAINFOIDGFLHM-UHFFFAOYSA-N
MW489.34 g/mol
LogP5.10
Rot. Bonds6

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 121044912) has the molecular formula C21H14Cl2N4O4S and a molecular weight of 489.34 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID121044912
Molecular FormulaC21H14Cl2N4O4S
Molecular Weight489.34 g/mol
Exact Mass488.01
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl2N4O4S/c22-15-5-1-14(2-6-15)20-25-26-21(31-20)24-19(28)13-3-9-17(10-4-13)27-32(29,30)18-11-7-16(23)8-12-18/h1-12,27H,(H,24,26,28)
InChIKeyXAAINFOIDGFLHM-UHFFFAOYSA-N
XLogP5.10
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.34
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]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-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041218
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41004356
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977232
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide (CID 121044912) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is XAAINFOIDGFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O4S/c22-15-5-1-14(2-6-15)20-25-26-21(31-20)24-19(28)13-3-9-17(10-4-13)27-32(29,30)18-11-7-16(23)8-12-18/h1-12,27H,(H,24,26,28).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 489.34 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121044912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).