2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide

C11H16F3NO3S2 — CID 78860555

IUPAC2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCOCC(F)(F)F)c(C)s1
InChIInChI=1S/C11H16F3NO3S2/c1-8-6-10(9(2)19-8)20(16,17)15-4-3-5-18-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3
InChIKeyPJFZHLXWBJNNDO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.61
Rot. Bonds7

About 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide (PubChem CID 78860555) has the molecular formula C11H16F3NO3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide
PubChem CID78860555
Molecular FormulaC11H16F3NO3S2
Molecular Weight331.38 g/mol
Exact Mass331.05
IUPAC Name2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCOCC(F)(F)F)c(C)s1
InChIInChI=1S/C11H16F3NO3S2/c1-8-6-10(9(2)19-8)20(16,17)15-4-3-5-18-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3
InChIKeyPJFZHLXWBJNNDO-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-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 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide (CID 78860555) is 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCCOCC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide?
The InChIKey is PJFZHLXWBJNNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3S2/c1-8-6-10(9(2)19-8)20(16,17)15-4-3-5-18-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 78860555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).