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

C17H14Cl2N4O4S — CID 43977508

IUPAC2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H14Cl2N4O4S/c1-23(2)28(25,26)12-6-3-10(4-7-12)16-21-22-17(27-16)20-15(24)13-8-5-11(18)9-14(13)19/h3-9H,1-2H3,(H,20,22,24)
InChIKeyLDJLVVHUNHTRIX-UHFFFAOYSA-N
MW441.30 g/mol
LogP3.55
Rot. Bonds5

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

2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977508) has the molecular formula C17H14Cl2N4O4S and a molecular weight of 441.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43977508
Molecular FormulaC17H14Cl2N4O4S
Molecular Weight441.30 g/mol
Exact Mass440.01
IUPAC Name2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H14Cl2N4O4S/c1-23(2)28(25,26)12-6-3-10(4-7-12)16-21-22-17(27-16)20-15(24)13-8-5-11(18)9-14(13)19/h3-9H,1-2H3,(H,20,22,24)
InChIKeyLDJLVVHUNHTRIX-UHFFFAOYSA-N
XLogP3.55
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43977695
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43977601
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43977611
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43977553

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43977508) is 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LDJLVVHUNHTRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4S/c1-23(2)28(25,26)12-6-3-10(4-7-12)16-21-22-17(27-16)20-15(24)13-8-5-11(18)9-14(13)19/h3-9H,1-2H3,(H,20,22,24).
What are the key properties of 2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 441.30 g/mol, XLogP of 3.55, 5 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-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).