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

C23H16ClFN2O3S2 — CID 22912237

IUPAC4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O3S2/c1-32(29,30)19-5-3-2-4-18(19)20-21(14-8-12-17(25)13-9-14)31-23(26-20)27-22(28)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,26,27,28)
InChIKeyRBXIYSCZMBZMKA-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.93
Rot. Bonds5

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

4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 22912237) has the molecular formula C23H16ClFN2O3S2 and a molecular weight of 486.98 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID22912237
Molecular FormulaC23H16ClFN2O3S2
Molecular Weight486.98 g/mol
Exact Mass486.03
IUPAC Name4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-c1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O3S2/c1-32(29,30)19-5-3-2-4-18(19)20-21(14-8-12-17(25)13-9-14)31-23(26-20)27-22(28)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,26,27,28)
InChIKeyRBXIYSCZMBZMKA-UHFFFAOYSA-N
XLogP5.93
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
(3-chlorophenyl)-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 22911965
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(3-fluorophenyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22911940
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
3-chloro-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22911911
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
2-[(3,5-difluorophenyl)methylsulfonyl]-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911993
N-(4-bromophenyl)-4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole-2-carboxamide
CID 22912345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (CID 22912237) is 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is CS(=O)(=O)c1ccccc1-c1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RBXIYSCZMBZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O3S2/c1-32(29,30)19-5-3-2-4-18(19)20-21(14-8-12-17(25)13-9-14)31-23(26-20)27-22(28)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,26,27,28).
What are the key properties of 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 486.98 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 22912237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).