2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C10H9FN4O3S2 — CID 71764827

IUPAC2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
InChIKeyIWCORHPCOLHGPW-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71764827) has the molecular formula C10H9FN4O3S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71764827
Molecular FormulaC10H9FN4O3S2
Molecular Weight316.34 g/mol
Exact Mass316.01
IUPAC Name2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
InChIKeyIWCORHPCOLHGPW-UHFFFAOYSA-N
XLogP0.51
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
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
Sulfonamide deriv., 8
CID 44520906
2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765040
(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 142468589
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765041
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901
2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 11428235
4-Fluoro-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017549
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-fluorobenzamide
CID 16017564
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}pentanamide
CID 16017574

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71764827) is 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IWCORHPCOLHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16).
What are the key properties of 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71764827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).