N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

C17H15FN4O3S2 — CID 22518169

IUPACN-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H15FN4O3S2/c1-22(11-12-7-3-2-4-8-12)27(24,25)17-21-20-16(26-17)19-15(23)13-9-5-6-10-14(13)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyKACYGYWVIPLXNP-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.75
Rot. Bonds6

About N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (PubChem CID 22518169) has the molecular formula C17H15FN4O3S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
PubChem CID22518169
Molecular FormulaC17H15FN4O3S2
Molecular Weight406.46 g/mol
Exact Mass406.06
IUPAC NameN-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H15FN4O3S2/c1-22(11-12-7-3-2-4-8-12)27(24,25)17-21-20-16(26-17)19-15(23)13-9-5-6-10-14(13)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyKACYGYWVIPLXNP-UHFFFAOYSA-N
XLogP2.75
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 394898
Bcr-abl Inhibitor II
CID 3320547
4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 11588141
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 685639
3-Bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 22517503
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71764827
2-Fluoro-N-[5-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1470475
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 4573026
4-(N,N-dimethylsulfamoyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)benzamide
CID 7095490
2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 11428235
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}benzamide
CID 16017321
N-(5-{[methyl(phenyl)amino]sulfonyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 16017351

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (CID 22518169) is N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The InChIKey is KACYGYWVIPLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S2/c1-22(11-12-7-3-2-4-8-12)27(24,25)17-21-20-16(26-17)19-15(23)13-9-5-6-10-14(13)18/h2-10H,11H2,1H3,(H,19,20,23).
What are the key properties of N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide has a molecular weight of 406.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 22518169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).