2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

C21H15FN4O3S2 — CID 56503511

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O3S2/c22-15-10-12-16(13-11-15)31(28,29)26-18-9-5-4-8-17(18)20(27)24-21-23-19(25-30-21)14-6-2-1-3-7-14/h1-13,26H,(H,23,24,25,27)
InChIKeyFHCLFPQVQJMXIR-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.40
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 56503511) has the molecular formula C21H15FN4O3S2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID56503511
Molecular FormulaC21H15FN4O3S2
Molecular Weight454.51 g/mol
Exact Mass454.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O3S2/c22-15-10-12-16(13-11-15)31(28,29)26-18-9-5-4-8-17(18)20(27)24-21-23-19(25-30-21)14-6-2-1-3-7-14/h1-13,26H,(H,23,24,25,27)
InChIKeyFHCLFPQVQJMXIR-UHFFFAOYSA-N
XLogP4.40
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-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

Related Compounds

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 121040870
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503128
2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 26843289
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 56503511) is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is FHCLFPQVQJMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3S2/c22-15-10-12-16(13-11-15)31(28,29)26-18-9-5-4-8-17(18)20(27)24-21-23-19(25-30-21)14-6-2-1-3-7-14/h1-13,26H,(H,23,24,25,27).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 454.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 56503511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).