N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide

C15H18F7NO4S — CID 22203475

IUPACN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C15H18F7NO4S/c1-2-3-4-28(24,25)23-10-5-11(26-8-14(18,19)13(16)17)7-12(6-10)27-9-15(20,21)22/h5-7,13,23H,2-4,8-9H2,1H3
InChIKeyUXZMHXDRLIYGDB-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.45
Rot. Bonds11

About N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide

N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide (PubChem CID 22203475) has the molecular formula C15H18F7NO4S and a molecular weight of 441.37 g/mol. Its IUPAC name is N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide
PubChem CID22203475
Molecular FormulaC15H18F7NO4S
Molecular Weight441.37 g/mol
Exact Mass441.08
IUPAC NameN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C15H18F7NO4S/c1-2-3-4-28(24,25)23-10-5-11(26-8-14(18,19)13(16)17)7-12(6-10)27-9-15(20,21)22/h5-7,13,23H,2-4,8-9H2,1H3
InChIKeyUXZMHXDRLIYGDB-UHFFFAOYSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-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-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide (CID 22203475) is N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide?
The InChIKey is UXZMHXDRLIYGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F7NO4S/c1-2-3-4-28(24,25)23-10-5-11(26-8-14(18,19)13(16)17)7-12(6-10)27-9-15(20,21)22/h5-7,13,23H,2-4,8-9H2,1H3.
What are the key properties of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide?
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide has a molecular weight of 441.37 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 22203475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).