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

C7H14F3NO2S — CID 61384503

IUPACN-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyAOFSVDLBULCEEI-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds4

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

N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide (PubChem CID 61384503) 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-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
PubChem CID61384503
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyAOFSVDLBULCEEI-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide (CID 61384503) is N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
The InChIKey is AOFSVDLBULCEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2)14(12,13)11(3)5-4-7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide?
N-methyl-N-(3,3,3-trifluoropropyl)propane-2-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.61, 4 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-2-sulfonamide is sourced from PubChem (CID 61384503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).