2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide

C14H9F5N4O3S — CID 167893550

IUPAC2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccco2)n[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F5N4O3S/c15-8-9(16)11(18)13(12(19)10(8)17)27(24,25)20-4-3-7-21-14(23-22-7)6-2-1-5-26-6/h1-2,5,20H,3-4H2,(H,21,22,23)
InChIKeyLQRSCPHAJDNVCO-UHFFFAOYSA-N
MW408.31 g/mol
LogP2.28
Rot. Bonds6

About 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide

2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 167893550) has the molecular formula C14H9F5N4O3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
PubChem CID167893550
Molecular FormulaC14H9F5N4O3S
Molecular Weight408.31 g/mol
Exact Mass408.03
IUPAC Name2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccco2)n[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F5N4O3S/c15-8-9(16)11(18)13(12(19)10(8)17)27(24,25)20-4-3-7-21-14(23-22-7)6-2-1-5-26-6/h1-2,5,20H,3-4H2,(H,21,22,23)
InChIKeyLQRSCPHAJDNVCO-UHFFFAOYSA-N
XLogP2.28
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
CID 96539862
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 53090258
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997577
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
CID 75364800
3-chloro-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethylamino]benzonitrile
CID 71861347
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylguanidine;hydroiodide
CID 109445364
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine
CID 111758412
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 86782388
2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethanimine
CID 90741695

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide (CID 167893550) is 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1nc(-c2ccco2)n[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is LQRSCPHAJDNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N4O3S/c15-8-9(16)11(18)13(12(19)10(8)17)27(24,25)20-4-3-7-21-14(23-22-7)6-2-1-5-26-6/h1-2,5,20H,3-4H2,(H,21,22,23).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 167893550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).