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

C13H12N6O4S2 — CID 43952033

IUPAC4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3csnn3)o2)cc1
InChIInChI=1S/C13H12N6O4S2/c1-19(2)25(21,22)9-5-3-8(4-6-9)11(20)14-13-17-16-12(23-13)10-7-24-18-15-10/h3-7H,1-2H3,(H,14,17,20)
InChIKeyBIUPTLCACRDENI-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.09
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43952033) has the molecular formula C13H12N6O4S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43952033
Molecular FormulaC13H12N6O4S2
Molecular Weight380.41 g/mol
Exact Mass380.04
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3csnn3)o2)cc1
InChIInChI=1S/C13H12N6O4S2/c1-19(2)25(21,22)9-5-3-8(4-6-9)11(20)14-13-17-16-12(23-13)10-7-24-18-15-10/h3-7H,1-2H3,(H,14,17,20)
InChIKeyBIUPTLCACRDENI-UHFFFAOYSA-N
XLogP1.09
TPSA131.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43952019
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2051259
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781
ethyl 4-[4-[[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43977555
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43952033) is 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3csnn3)o2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BIUPTLCACRDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O4S2/c1-19(2)25(21,22)9-5-3-8(4-6-9)11(20)14-13-17-16-12(23-13)10-7-24-18-15-10/h3-7H,1-2H3,(H,14,17,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43952033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).