N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C10H20F3NO2S — CID 64586682

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C10H20F3NO2S/c1-4-7-17(15,16)14(8-10(11,12)13)9(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyMYZGHHWHMHJOQK-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.78
Rot. Bonds7

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 64586682) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID64586682
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C10H20F3NO2S/c1-4-7-17(15,16)14(8-10(11,12)13)9(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyMYZGHHWHMHJOQK-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 64586682) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CC(F)(F)F)C(CC)CC.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is MYZGHHWHMHJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-4-7-17(15,16)14(8-10(11,12)13)9(5-2)6-3/h9H,4-8H2,1-3H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 64586682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).