N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide

C7H14F3NO2S — CID 61384504

IUPACN-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-6-14(12,13)11(2)5-4-7(8,9)10/h3-6H2,1-2H3
InChIKeyHWUSQNVTJRKLCS-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide

N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide (PubChem CID 61384504) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
PubChem CID61384504
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-6-14(12,13)11(2)5-4-7(8,9)10/h3-6H2,1-2H3
InChIKeyHWUSQNVTJRKLCS-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide (CID 61384504) is N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide is CCCS(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
The InChIKey is HWUSQNVTJRKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-3-6-14(12,13)11(2)5-4-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide?
N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide is sourced from PubChem (CID 61384504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).