4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H26Cl2N4O4S — CID 43977026

IUPAC4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C23H26Cl2N4O4S/c1-3-5-13-29(14-6-4-2)34(31,32)18-10-7-16(8-11-18)21(30)26-23-28-27-22(33-23)19-12-9-17(24)15-20(19)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,26,28,30)
InChIKeyBGNLUFQDONKLQW-UHFFFAOYSA-N
MW525.46 g/mol
LogP5.89
Rot. Bonds11

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

4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977026) has the molecular formula C23H26Cl2N4O4S and a molecular weight of 525.46 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43977026
Molecular FormulaC23H26Cl2N4O4S
Molecular Weight525.46 g/mol
Exact Mass524.11
IUPAC Name4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C23H26Cl2N4O4S/c1-3-5-13-29(14-6-4-2)34(31,32)18-10-7-16(8-11-18)21(30)26-23-28-27-22(33-23)19-12-9-17(24)15-20(19)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,26,28,30)
InChIKeyBGNLUFQDONKLQW-UHFFFAOYSA-N
XLogP5.89
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 43976959
4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4046837
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821780
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977026) is 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BGNLUFQDONKLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O4S/c1-3-5-13-29(14-6-4-2)34(31,32)18-10-7-16(8-11-18)21(30)26-23-28-27-22(33-23)19-12-9-17(24)15-20(19)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,26,28,30).
What are the key properties of 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 525.46 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).