3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide

C22H15BrFN3O3S2 — CID 22912318

IUPAC3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15BrFN3O3S2/c23-16-3-1-2-15(12-16)21(28)27-22-26-19(13-4-8-17(24)9-5-13)20(31-22)14-6-10-18(11-7-14)32(25,29)30/h1-12H,(H2,25,29,30)(H,26,27,28)
InChIKeyNNSCKOLMAPXRAU-UHFFFAOYSA-N
MW532.42 g/mol
LogP5.28
Rot. Bonds5

About 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide

3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 22912318) has the molecular formula C22H15BrFN3O3S2 and a molecular weight of 532.42 g/mol. Its IUPAC name is 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID22912318
Molecular FormulaC22H15BrFN3O3S2
Molecular Weight532.42 g/mol
Exact Mass530.97
IUPAC Name3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H15BrFN3O3S2/c23-16-3-1-2-15(12-16)21(28)27-22-26-19(13-4-8-17(24)9-5-13)20(31-22)14-6-10-18(11-7-14)32(25,29)30/h1-12H,(H2,25,29,30)(H,26,27,28)
InChIKeyNNSCKOLMAPXRAU-UHFFFAOYSA-N
XLogP5.28
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.42
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22911911
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
4-[2-(3-bromobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22912201
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
(3-bromophenyl)-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 70204829
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 126060321
4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22911826
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
N-benzyl-4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazole-2-carboxamide
CID 22912147
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide (CID 22912318) is 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide is NS(=O)(=O)c1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NNSCKOLMAPXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3O3S2/c23-16-3-1-2-15(12-16)21(28)27-22-26-19(13-4-8-17(24)9-5-13)20(31-22)14-6-10-18(11-7-14)32(25,29)30/h1-12H,(H2,25,29,30)(H,26,27,28).
What are the key properties of 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide?
3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 532.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 22912318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).