2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H11Cl2N3O4S — CID 18576963

IUPAC2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H11Cl2N3O4S/c1-26(23,24)13-5-3-2-4-11(13)15-20-21-16(25-15)19-14(22)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22)
InChIKeyGREZBNZMVISIJL-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.70
Rot. Bonds4

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

2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 18576963) has the molecular formula C16H11Cl2N3O4S and a molecular weight of 412.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID18576963
Molecular FormulaC16H11Cl2N3O4S
Molecular Weight412.25 g/mol
Exact Mass410.98
IUPAC Name2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H11Cl2N3O4S/c1-26(23,24)13-5-3-2-4-11(13)15-20-21-16(25-15)19-14(22)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22)
InChIKeyGREZBNZMVISIJL-UHFFFAOYSA-N
XLogP3.70
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578185
2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 43978186
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578150
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245
2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7553131
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
4-ethoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578193

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 18576963) is 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GREZBNZMVISIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4S/c1-26(23,24)13-5-3-2-4-11(13)15-20-21-16(25-15)19-14(22)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 412.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 18576963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).