3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide

C6H11F3N2O3S — CID 61132147

IUPAC3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide
SMILESNS(=O)(=O)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-5(12)11-2-1-3-15(10,13)14/h1-4H2,(H,11,12)(H2,10,13,14)
InChIKeyNLXKDGQWAJCUNE-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.27
Rot. Bonds5

About 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide

3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide (PubChem CID 61132147) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide
PubChem CID61132147
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide
SMILESNS(=O)(=O)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-5(12)11-2-1-3-15(10,13)14/h1-4H2,(H,11,12)(H2,10,13,14)
InChIKeyNLXKDGQWAJCUNE-UHFFFAOYSA-N
XLogP-0.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide (CID 61132147) is 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide is NS(=O)(=O)CCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide?
The InChIKey is NLXKDGQWAJCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)4-5(12)11-2-1-3-15(10,13)14/h1-4H2,(H,11,12)(H2,10,13,14).
What are the key properties of 3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide?
3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide has a molecular weight of 248.23 g/mol, XLogP of -0.27, 5 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-(3-sulfamoylpropyl)propanamide is sourced from PubChem (CID 61132147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).