N-propyl-N-(trifluoromethyl)methanesulfonamide

C5H10F3NO2S — CID 172762245

IUPACN-propyl-N-(trifluoromethyl)methanesulfonamide
SMILESCCCN(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-3-4-9(5(6,7)8)12(2,10)11/h3-4H2,1-2H3
InChIKeyLVOBECIGKXTSIF-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.18
Rot. Bonds3

About N-propyl-N-(trifluoromethyl)methanesulfonamide

N-propyl-N-(trifluoromethyl)methanesulfonamide (PubChem CID 172762245) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-propyl-N-(trifluoromethyl)methanesulfonamide.

Molecular Properties

Compound NameN-propyl-N-(trifluoromethyl)methanesulfonamide
PubChem CID172762245
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-propyl-N-(trifluoromethyl)methanesulfonamide
SMILESCCCN(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-3-4-9(5(6,7)8)12(2,10)11/h3-4H2,1-2H3
InChIKeyLVOBECIGKXTSIF-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(trifluoromethyl)methanesulfonamide?
The IUPAC name of N-propyl-N-(trifluoromethyl)methanesulfonamide (CID 172762245) is N-propyl-N-(trifluoromethyl)methanesulfonamide.
What is the SMILES notation for N-propyl-N-(trifluoromethyl)methanesulfonamide?
The canonical SMILES for N-propyl-N-(trifluoromethyl)methanesulfonamide is CCCN(C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-propyl-N-(trifluoromethyl)methanesulfonamide?
The InChIKey is LVOBECIGKXTSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-4-9(5(6,7)8)12(2,10)11/h3-4H2,1-2H3.
What are the key properties of N-propyl-N-(trifluoromethyl)methanesulfonamide?
N-propyl-N-(trifluoromethyl)methanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(trifluoromethyl)methanesulfonamide is sourced from PubChem (CID 172762245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).