2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide

C11H12F4N2O3S — CID 102685069

IUPAC2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2O3S/c1-16-21(19,20)6-5-17-10(18)7-3-2-4-8(9(7)12)11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyMEPNGTXKUFQNHM-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.12
Rot. Bonds5

About 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 102685069) has the molecular formula C11H12F4N2O3S and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID102685069
Molecular FormulaC11H12F4N2O3S
Molecular Weight328.29 g/mol
Exact Mass328.05
IUPAC Name2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2O3S/c1-16-21(19,20)6-5-17-10(18)7-3-2-4-8(9(7)12)11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyMEPNGTXKUFQNHM-UHFFFAOYSA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide (CID 102685069) is 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide is CNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MEPNGTXKUFQNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O3S/c1-16-21(19,20)6-5-17-10(18)7-3-2-4-8(9(7)12)11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 328.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 102685069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).