2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide

C11H13FN4O2S — CID 102803480

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C11H13FN4O2S/c1-7-9(6-16(2)14-7)15-19(17,18)10-5-3-4-8(12)11(10)13/h3-6,15H,13H2,1-2H3
InChIKeyZQRZURIHZYZBIZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide (PubChem CID 102803480) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
PubChem CID102803480
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C11H13FN4O2S/c1-7-9(6-16(2)14-7)15-19(17,18)10-5-3-4-8(12)11(10)13/h3-6,15H,13H2,1-2H3
InChIKeyZQRZURIHZYZBIZ-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide 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-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
N-(1,3-dimethylpyrazol-4-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327562
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide (CID 102803480) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide?
The InChIKey is ZQRZURIHZYZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-9(6-16(2)14-7)15-19(17,18)10-5-3-4-8(12)11(10)13/h3-6,15H,13H2,1-2H3.
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 102803480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).