2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide

C9H4F4N4O3S2 — CID 11428235

IUPAC2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
InChIKeyWIPFLAIFCHZLJT-UHFFFAOYSA-N
MW356.28 g/mol
LogP0.99
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide

2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 11428235) has the molecular formula C9H4F4N4O3S2 and a molecular weight of 356.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID11428235
Molecular FormulaC9H4F4N4O3S2
Molecular Weight356.28 g/mol
Exact Mass355.97
IUPAC Name2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
InChIKeyWIPFLAIFCHZLJT-UHFFFAOYSA-N
XLogP0.99
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 10833200
4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 11588141
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71764827
2,6-difluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 330490
2,3,4,5,6-Pentafluoro-N-[2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethyl]-benzamide
CID 10765735
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]benzamide
CID 16017550
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}-3-methylbenzamide
CID 16017568
3-fluoro-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 16017583

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (CID 11428235) is 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WIPFLAIFCHZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18).
What are the key properties of 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 356.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 11428235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).