3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C10H19ClF3NO3S — CID 54877382

IUPAC3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C10H19ClF3NO3S/c1-2-18-7-4-6-15(9-10(12,13)14)19(16,17)8-3-5-11/h2-9H2,1H3
InChIKeyJDYAYFGNHNCWAZ-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.24
Rot. Bonds10

About 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 54877382) has the molecular formula C10H19ClF3NO3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID54877382
Molecular FormulaC10H19ClF3NO3S
Molecular Weight325.78 g/mol
Exact Mass325.07
IUPAC Name3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C10H19ClF3NO3S/c1-2-18-7-4-6-15(9-10(12,13)14)19(16,17)8-3-5-11/h2-9H2,1H3
InChIKeyJDYAYFGNHNCWAZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 54877382) is 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is JDYAYFGNHNCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO3S/c1-2-18-7-4-6-15(9-10(12,13)14)19(16,17)8-3-5-11/h2-9H2,1H3.
What are the key properties of 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 325.78 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 54877382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).