4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide

C11H13FN4O3S — CID 107328249

IUPAC4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(C)cc(F)cc2C)n1
InChIInChI=1S/C11H13FN4O3S/c1-6-4-8(12)5-7(2)9(6)20(17,18)16-10-13-11(19-3)15-14-10/h4-5H,1-3H3,(H2,13,14,15,16)
InChIKeyIHMYIZGZLJPQMR-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.37
Rot. Bonds4

About 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107328249) has the molecular formula C11H13FN4O3S and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide
PubChem CID107328249
Molecular FormulaC11H13FN4O3S
Molecular Weight300.32 g/mol
Exact Mass300.07
IUPAC Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(C)cc(F)cc2C)n1
InChIInChI=1S/C11H13FN4O3S/c1-6-4-8(12)5-7(2)9(6)20(17,18)16-10-13-11(19-3)15-14-10/h4-5H,1-3H3,(H2,13,14,15,16)
InChIKeyIHMYIZGZLJPQMR-UHFFFAOYSA-N
XLogP1.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide 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

2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 13772887
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3870708
4-Fluoro-2-methyl-n-(1h-[1,2,4]triazol-3-yl)-benzenesulfonamide
CID 52100225
5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152224
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methylbenzenesulfonamide
CID 83083975
2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83084424
3,5-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83084553
3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylbenzenesulfonamide
CID 83084898
3,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83085237
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide
CID 83085336
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 83090794

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide (CID 107328249) is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2c(C)cc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is IHMYIZGZLJPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3S/c1-6-4-8(12)5-7(2)9(6)20(17,18)16-10-13-11(19-3)15-14-10/h4-5H,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 300.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107328249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).