N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C8H16F3NO2S — CID 64586484

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO2S/c1-4-5-15(13,14)12(7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeySJRRCIWNQOVPIR-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.00
Rot. Bonds5

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 64586484) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID64586484
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO2S/c1-4-5-15(13,14)12(7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeySJRRCIWNQOVPIR-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 64586484) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is SJRRCIWNQOVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-4-5-15(13,14)12(7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 64586484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).