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

C17H15FN4O4S — CID 2051015

IUPAC4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23)
InChIKeyOTXKMEFTNRPLJI-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.38
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2051015) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2051015
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23)
InChIKeyOTXKMEFTNRPLJI-UHFFFAOYSA-N
XLogP2.38
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2051015) is 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is OTXKMEFTNRPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 390.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2051015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).