N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H18F3NO3S — CID 61355208

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CC
InChIInChI=1S/C9H18F3NO3S/c1-3-16-7-5-6-13(8-9(10,11)12)17(14,15)4-2/h3-8H2,1-2H3
InChIKeyBYSKDCZSPNYXLD-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.63
Rot. Bonds8

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 61355208) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID61355208
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CC
InChIInChI=1S/C9H18F3NO3S/c1-3-16-7-5-6-13(8-9(10,11)12)17(14,15)4-2/h3-8H2,1-2H3
InChIKeyBYSKDCZSPNYXLD-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 61355208) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)CC.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is BYSKDCZSPNYXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-3-16-7-5-6-13(8-9(10,11)12)17(14,15)4-2/h3-8H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 61355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).