2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide

C11H13FN4O2S — CID 104616732

IUPAC2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1
InChIInChI=1S/C11H13FN4O2S/c1-2-7-6-10(15-14-7)16-19(17,18)11-8(12)4-3-5-9(11)13/h3-6H,2,13H2,1H3,(H2,14,15,16)
InChIKeyIKMDWBLVZLYNKZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide

2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide (PubChem CID 104616732) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
PubChem CID104616732
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1
InChIInChI=1S/C11H13FN4O2S/c1-2-7-6-10(15-14-7)16-19(17,18)11-8(12)4-3-5-9(11)13/h3-6H,2,13H2,1H3,(H2,14,15,16)
InChIKeyIKMDWBLVZLYNKZ-UHFFFAOYSA-N
XLogP1.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide 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 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide (CID 104616732) is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide is CCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1.
What is the InChIKey of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The InChIKey is IKMDWBLVZLYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-2-7-6-10(15-14-7)16-19(17,18)11-8(12)4-3-5-9(11)13/h3-6H,2,13H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 104616732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).