3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide

C7H13F3N2O4S — CID 166119510

IUPAC3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-11-17(15,16)3-2-12-6(14)5(4-13)7(8,9)10/h5,11,13H,2-4H2,1H3,(H,12,14)
InChIKeyBEENOMUKUQJGHD-UHFFFAOYSA-N
MW278.25 g/mol
LogP-1.18
Rot. Bonds6

About 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide

3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide (PubChem CID 166119510) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
PubChem CID166119510
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-11-17(15,16)3-2-12-6(14)5(4-13)7(8,9)10/h5,11,13H,2-4H2,1H3,(H,12,14)
InChIKeyBEENOMUKUQJGHD-UHFFFAOYSA-N
XLogP-1.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide (CID 166119510) is 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide is CNS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The InChIKey is BEENOMUKUQJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-11-17(15,16)3-2-12-6(14)5(4-13)7(8,9)10/h5,11,13H,2-4H2,1H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide has a molecular weight of 278.25 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 166119510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).