N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide

C8H16F3NO2S — CID 82903394

IUPACN-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-3-7(2)12-15(13,14)6-4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyGQGMREHZDJBOKA-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.05
Rot. Bonds6

About N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide

N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 82903394) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID82903394
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-3-7(2)12-15(13,14)6-4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyGQGMREHZDJBOKA-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.05
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-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide (CID 82903394) is N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide is CCC(C)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GQGMREHZDJBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-3-7(2)12-15(13,14)6-4-5-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide?
N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 82903394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).