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

C9H3F5N4O3S2 — CID 10833200

IUPAC2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C9H3F5N4O3S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(19)16-8-17-18-9(22-8)23(15,20)21/h(H2,15,20,21)(H,16,17,19)
InChIKeyFQQZIMNHENDFJL-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.13
Rot. Bonds3

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

2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 10833200) has the molecular formula C9H3F5N4O3S2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID10833200
Molecular FormulaC9H3F5N4O3S2
Molecular Weight374.27 g/mol
Exact Mass373.96
IUPAC Name2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C9H3F5N4O3S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(19)16-8-17-18-9(22-8)23(15,20)21/h(H2,15,20,21)(H,16,17,19)
InChIKeyFQQZIMNHENDFJL-UHFFFAOYSA-N
XLogP1.13
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide (CID 10833200) is 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FQQZIMNHENDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N4O3S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(19)16-8-17-18-9(22-8)23(15,20)21/h(H2,15,20,21)(H,16,17,19).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 374.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 10833200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).