N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide

C11H8F3NO2S2 — CID 3807214

IUPACN-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cccs1
InChIInChI=1S/C11H8F3NO2S2/c12-8-4-7(5-9(13)11(8)14)6-15-19(16,17)10-2-1-3-18-10/h1-5,15H,6H2
InChIKeyYNNHXJATPXLOGI-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.64
Rot. Bonds4

About N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide

N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 3807214) has the molecular formula C11H8F3NO2S2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID3807214
Molecular FormulaC11H8F3NO2S2
Molecular Weight307.32 g/mol
Exact Mass306.99
IUPAC NameN-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cccs1
InChIInChI=1S/C11H8F3NO2S2/c12-8-4-7(5-9(13)11(8)14)6-15-19(16,17)10-2-1-3-18-10/h1-5,15H,6H2
InChIKeyYNNHXJATPXLOGI-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 4994552
3-fluoro-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarbothioamide
CID 63359251
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
3-fluoro-N'-hydroxy-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarboximidamide
CID 76995429
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide (CID 3807214) is N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cccs1.
What is the InChIKey of N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YNNHXJATPXLOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S2/c12-8-4-7(5-9(13)11(8)14)6-15-19(16,17)10-2-1-3-18-10/h1-5,15H,6H2.
What are the key properties of N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide?
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 307.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3807214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).