N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

C8H16F3NO3S — CID 83057920

IUPACN-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-12(5-6-13)16(14,15)7-3-4-8(9,10)11/h13H,2-7H2,1H3
InChIKeyFTGDMGRMKQRBQD-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.97
Rot. Bonds7

About N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 83057920) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID83057920
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC NameN-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-2-12(5-6-13)16(14,15)7-3-4-8(9,10)11/h13H,2-7H2,1H3
InChIKeyFTGDMGRMKQRBQD-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 83057920) is N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is CCN(CCO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is FTGDMGRMKQRBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-2-12(5-6-13)16(14,15)7-3-4-8(9,10)11/h13H,2-7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 83057920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).