4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide

C11H13FN4O2S — CID 82844313

IUPAC4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c1-6-11(7(2)15-14-6)16-19(17,18)8-3-4-10(13)9(12)5-8/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyLYJKYGWFVWMORW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide (PubChem CID 82844313) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
PubChem CID82844313
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c1-6-11(7(2)15-14-6)16-19(17,18)8-3-4-10(13)9(12)5-8/h3-5,16H,13H2,1-2H3,(H,14,15)
InChIKeyLYJKYGWFVWMORW-UHFFFAOYSA-N
XLogP1.55
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43547071
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43547799
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide (CID 82844313) is 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide?
The InChIKey is LYJKYGWFVWMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-6-11(7(2)15-14-6)16-19(17,18)8-3-4-10(13)9(12)5-8/h3-5,16H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide?
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82844313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).