N-(3,3,3-trifluoropropyl)propane-2-sulfonamide

C6H12F3NO2S — CID 64585926

IUPACN-(3,3,3-trifluoropropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2)13(11,12)10-4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyXVMRGCUGKUOFPR-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.27
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)propane-2-sulfonamide

N-(3,3,3-trifluoropropyl)propane-2-sulfonamide (PubChem CID 64585926) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)propane-2-sulfonamide
PubChem CID64585926
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-(3,3,3-trifluoropropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2)13(11,12)10-4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyXVMRGCUGKUOFPR-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)propane-2-sulfonamide (CID 64585926) is N-(3,3,3-trifluoropropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The InChIKey is XVMRGCUGKUOFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-5(2)13(11,12)10-4-3-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
N-(3,3,3-trifluoropropyl)propane-2-sulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)propane-2-sulfonamide is sourced from PubChem (CID 64585926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).