2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide

C7H13F3N2O3S — CID 154307719

IUPAC2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(6(11)13)16(14,15)12(2)4-3-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,13)
InChIKeyDKGZXAOAOJRAKA-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.07
Rot. Bonds5

About 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide

2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide (PubChem CID 154307719) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide
PubChem CID154307719
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-5(6(11)13)16(14,15)12(2)4-3-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,13)
InChIKeyDKGZXAOAOJRAKA-UHFFFAOYSA-N
XLogP0.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide (CID 154307719) is 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide is CC(C(N)=O)S(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide?
The InChIKey is DKGZXAOAOJRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-5(6(11)13)16(14,15)12(2)4-3-7(8,9)10/h5H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide?
2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide has a molecular weight of 262.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide is sourced from PubChem (CID 154307719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).