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

C21H14Cl2N4O4S — CID 121041218

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N4O4S/c22-14-7-5-13(6-8-14)20-25-26-21(31-20)24-19(28)17-3-1-2-4-18(17)27-32(29,30)16-11-9-15(23)10-12-16/h1-12,27H,(H,24,26,28)
InChIKeyKCPLYTTZWBHZNK-UHFFFAOYSA-N
MW489.34 g/mol
LogP5.10
Rot. Bonds6

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 121041218) 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]-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID121041218
Molecular FormulaC21H14Cl2N4O4S
Molecular Weight489.34 g/mol
Exact Mass488.01
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N4O4S/c22-14-7-5-13(6-8-14)20-25-26-21(31-20)24-19(28)17-3-1-2-4-18(17)27-32(29,30)16-11-9-15(23)10-12-16/h1-12,27H,(H,24,26,28)
InChIKeyKCPLYTTZWBHZNK-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

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121044912
2-[(4-methylphenyl)sulfonylamino]-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4190892
2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977226
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121040677
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3480387
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 121041218) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is KCPLYTTZWBHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O4S/c22-14-7-5-13(6-8-14)20-25-26-21(31-20)24-19(28)17-3-1-2-4-18(17)27-32(29,30)16-11-9-15(23)10-12-16/h1-12,27H,(H,24,26,28).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[(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]-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121041218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).