1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

C14H19FN4O3S — CID 131919964

IUPAC1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN4O3S/c1-22-8-2-7-19-11-16-18-14(19)9-17-23(20,21)10-12-3-5-13(15)6-4-12/h3-6,11,17H,2,7-10H2,1H3
InChIKeyDICXKOOQUYBTBU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.07
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide (PubChem CID 131919964) has the molecular formula C14H19FN4O3S and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
PubChem CID131919964
Molecular FormulaC14H19FN4O3S
Molecular Weight342.40 g/mol
Exact Mass342.12
IUPAC Name1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN4O3S/c1-22-8-2-7-19-11-16-18-14(19)9-17-23(20,21)10-12-3-5-13(15)6-4-12/h3-6,11,17H,2,7-10H2,1H3
InChIKeyDICXKOOQUYBTBU-UHFFFAOYSA-N
XLogP1.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide 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-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 131938285
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106304308
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide
CID 131951972
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 131913113
N-[2-(4-fluorophenyl)ethyl]-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 37286588
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 72842483
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 125154769
4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 90649871

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide (CID 131919964) is 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide is COCCCn1cnnc1CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
The InChIKey is DICXKOOQUYBTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3S/c1-22-8-2-7-19-11-16-18-14(19)9-17-23(20,21)10-12-3-5-13(15)6-4-12/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide has a molecular weight of 342.40 g/mol, XLogP of 1.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131919964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).