4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C12H9F3N2O3S2 — CID 78863489

IUPAC4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H9F3N2O3S2/c1-22(19,20)8-4-2-7(3-5-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZOYLIVJZGMJYBI-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.82
Rot. Bonds3

About 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 78863489) has the molecular formula C12H9F3N2O3S2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID78863489
Molecular FormulaC12H9F3N2O3S2
Molecular Weight350.34 g/mol
Exact Mass350.00
IUPAC Name4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H9F3N2O3S2/c1-22(19,20)8-4-2-7(3-5-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZOYLIVJZGMJYBI-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 43981157
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 24648453
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 78863489) is 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZOYLIVJZGMJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S2/c1-22(19,20)8-4-2-7(3-5-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 78863489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).