4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide

C12H13BrF3NO2S — CID 103925011

IUPAC4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
SMILESCCS(=O)CCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H13BrF3NO2S/c1-2-20(19)6-5-17-11(18)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyDYLWHJXHLZXUPY-UHFFFAOYSA-N
MW372.21 g/mol
LogP2.97
Rot. Bonds5

About 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide (PubChem CID 103925011) has the molecular formula C12H13BrF3NO2S and a molecular weight of 372.21 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
PubChem CID103925011
Molecular FormulaC12H13BrF3NO2S
Molecular Weight372.21 g/mol
Exact Mass370.98
IUPAC Name4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
SMILESCCS(=O)CCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H13BrF3NO2S/c1-2-20(19)6-5-17-11(18)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyDYLWHJXHLZXUPY-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)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

4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)benzamide
CID 103925344
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
CID 103925091
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide (CID 103925011) is 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide is CCS(=O)CCNC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is DYLWHJXHLZXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2S/c1-2-20(19)6-5-17-11(18)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 372.21 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).