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

C10H20F3NO3S — CID 61355207

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H20F3NO3S/c1-4-17-7-5-6-14(8-10(11,12)13)18(15,16)9(2)3/h9H,4-8H2,1-3H3
InChIKeyXBBFIPOQHFNQHM-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.02
Rot. Bonds8

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

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 61355207) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID61355207
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H20F3NO3S/c1-4-17-7-5-6-14(8-10(11,12)13)18(15,16)9(2)3/h9H,4-8H2,1-3H3
InChIKeyXBBFIPOQHFNQHM-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.02
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)propane-2-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 61355207) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is XBBFIPOQHFNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-4-17-7-5-6-14(8-10(11,12)13)18(15,16)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 2.02, 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)propane-2-sulfonamide is sourced from PubChem (CID 61355207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).