N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide

C16H17FN4O2S — CID 176509363

IUPACN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccn2nncc2c1
InChIInChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-4-6-14(17)7-5-13)24(22,23)16-8-9-20-15(10-16)11-18-19-20/h4-12H,3H2,1-2H3/t12-/m0/s1
InChIKeyQXPSDBDMWBCXFH-LBPRGKRZSA-N
MW348.40 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide

N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide (PubChem CID 176509363) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide
PubChem CID176509363
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccn2nncc2c1
InChIInChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-4-6-14(17)7-5-13)24(22,23)16-8-9-20-15(10-16)11-18-19-20/h4-12H,3H2,1-2H3/t12-/m0/s1
InChIKeyQXPSDBDMWBCXFH-LBPRGKRZSA-N
XLogP2.64
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide 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

N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
CID 61357200
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55913793
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
4-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61301534
N-ethyl-5-fluoro-N-[(1S)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide
CID 176509431
N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide
CID 176509397
N-ethyl-3-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzimidazole-5-sulfonamide
CID 175581112
5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 176509332
N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
CID 142470252
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 55913663
N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3-(2-trimethylsilylethoxymethyl)triazole-4-sulfonamide
CID 172551692
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide (CID 176509363) is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide is CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccn2nncc2c1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide?
The InChIKey is QXPSDBDMWBCXFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-3-21(12(2)13-4-6-14(17)7-5-13)24(22,23)16-8-9-20-15(10-16)11-18-19-20/h4-12H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide?
N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]pyridine-5-sulfonamide is sourced from PubChem (CID 176509363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).