4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

C11H14FN5O2S — CID 62117123

IUPAC4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1F)c1nncn1C
InChIInChI=1S/C11H14FN5O2S/c1-7(11-15-14-6-17(11)2)16-20(18,19)10-4-3-8(13)5-9(10)12/h3-7,16H,13H2,1-2H3
InChIKeyVKBGMYZQEVKJEW-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.58
Rot. Bonds4

About 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 62117123) has the molecular formula C11H14FN5O2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
PubChem CID62117123
Molecular FormulaC11H14FN5O2S
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1F)c1nncn1C
InChIInChI=1S/C11H14FN5O2S/c1-7(11-15-14-6-17(11)2)16-20(18,19)10-4-3-8(13)5-9(10)12/h3-7,16H,13H2,1-2H3
InChIKeyVKBGMYZQEVKJEW-UHFFFAOYSA-N
XLogP0.58
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (CID 62117123) is 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1F)c1nncn1C.
What is the InChIKey of 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is VKBGMYZQEVKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2S/c1-7(11-15-14-6-17(11)2)16-20(18,19)10-4-3-8(13)5-9(10)12/h3-7,16H,13H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 62117123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).