N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide

C13H12F3NO3S2 — CID 30867171

IUPACN-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c14-13(15,16)10-3-1-4-11(9-10)20-7-6-17-22(18,19)12-5-2-8-21-12/h1-5,8-9,17H,6-7H2
InChIKeyZRRCPUAIUOWOGN-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.12
Rot. Bonds6

About N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide

N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide (PubChem CID 30867171) has the molecular formula C13H12F3NO3S2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide
PubChem CID30867171
Molecular FormulaC13H12F3NO3S2
Molecular Weight351.37 g/mol
Exact Mass351.02
IUPAC NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c14-13(15,16)10-3-1-4-11(9-10)20-7-6-17-22(18,19)12-5-2-8-21-12/h1-5,8-9,17H,6-7H2
InChIKeyZRRCPUAIUOWOGN-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide (CID 30867171) is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCOc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide?
The InChIKey is ZRRCPUAIUOWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S2/c14-13(15,16)10-3-1-4-11(9-10)20-7-6-17-22(18,19)12-5-2-8-21-12/h1-5,8-9,17H,6-7H2.
What are the key properties of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide?
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide has a molecular weight of 351.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30867171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).