3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide

C6H8F6N2O3S — CID 103310839

IUPAC3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O3S/c7-5(8,9)3(6(10,11)12)4(15)14-1-2-18(13,16)17/h3H,1-2H2,(H,14,15)(H2,13,16,17)
InChIKeyDBHALRGYQUZVQN-UHFFFAOYSA-N
MW302.20 g/mol
LogP0.13
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310839) has the molecular formula C6H8F6N2O3S and a molecular weight of 302.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
PubChem CID103310839
Molecular FormulaC6H8F6N2O3S
Molecular Weight302.20 g/mol
Exact Mass302.02
IUPAC Name3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O3S/c7-5(8,9)3(6(10,11)12)4(15)14-1-2-18(13,16)17/h3H,1-2H2,(H,14,15)(H2,13,16,17)
InChIKeyDBHALRGYQUZVQN-UHFFFAOYSA-N
XLogP0.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 23235143
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
CID 162172859
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
N-(3-bromo-4-methoxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106245359
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
N-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]sulfamoyl fluoride
CID 20608059

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide (CID 103310839) is 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide is NS(=O)(=O)CCNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is DBHALRGYQUZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N2O3S/c7-5(8,9)3(6(10,11)12)4(15)14-1-2-18(13,16)17/h3H,1-2H2,(H,14,15)(H2,13,16,17).
What are the key properties of 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 302.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).