N-butan-2-yl-1,1,1-trifluoromethanesulfonamide

C5H10F3NO2S — CID 14663477

IUPACN-butan-2-yl-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-4(2)9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyZZFBAWJISLFGSN-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.22
Rot. Bonds3

About N-butan-2-yl-1,1,1-trifluoromethanesulfonamide

N-butan-2-yl-1,1,1-trifluoromethanesulfonamide (PubChem CID 14663477) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-butan-2-yl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1,1,1-trifluoromethanesulfonamide
PubChem CID14663477
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-butan-2-yl-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-4(2)9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyZZFBAWJISLFGSN-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-butan-2-yl-1,1,1-trifluoromethanesulfonamide (CID 14663477) is N-butan-2-yl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-butan-2-yl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-butan-2-yl-1,1,1-trifluoromethanesulfonamide is CCC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZZFBAWJISLFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-4(2)9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-1,1,1-trifluoromethanesulfonamide?
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14663477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).