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

C21H23ClN4O4S — CID 2158877

IUPAC4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-3-5-14-26(4-2)31(28,29)16-12-10-15(11-13-16)19(27)23-21-25-24-20(30-21)17-8-6-7-9-18(17)22/h6-13H,3-5,14H2,1-2H3,(H,23,25,27)
InChIKeyJQCCEOZOSDSBCD-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.45
Rot. Bonds9

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

4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2158877) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2158877
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H23ClN4O4S/c1-3-5-14-26(4-2)31(28,29)16-12-10-15(11-13-16)19(27)23-21-25-24-20(30-21)17-8-6-7-9-18(17)22/h6-13H,3-5,14H2,1-2H3,(H,23,25,27)
InChIKeyJQCCEOZOSDSBCD-UHFFFAOYSA-N
XLogP4.45
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2158877) is 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JQCCEOZOSDSBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-3-5-14-26(4-2)31(28,29)16-12-10-15(11-13-16)19(27)23-21-25-24-20(30-21)17-8-6-7-9-18(17)22/h6-13H,3-5,14H2,1-2H3,(H,23,25,27).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 462.96 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2158877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).