2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H15FN4O2S — CID 104616823

IUPAC2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1
InChIInChI=1S/C12H15FN4O2S/c1-2-4-8-7-11(16-15-8)17-20(18,19)12-9(13)5-3-6-10(12)14/h3,5-7H,2,4,14H2,1H3,(H2,15,16,17)
InChIKeyFPGVXSWGAVAUHD-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616823) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616823
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1
InChIInChI=1S/C12H15FN4O2S/c1-2-4-8-7-11(16-15-8)17-20(18,19)12-9(13)5-3-6-10(12)14/h3,5-7H,2,4,14H2,1H3,(H2,15,16,17)
InChIKeyFPGVXSWGAVAUHD-UHFFFAOYSA-N
XLogP1.88
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.88
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

3-amino-2,6-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616869
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616854
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104616865
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616823) is 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is CCCc1cc(NS(=O)(=O)c2c(N)cccc2F)n[nH]1.
What is the InChIKey of 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is FPGVXSWGAVAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-2-4-8-7-11(16-15-8)17-20(18,19)12-9(13)5-3-6-10(12)14/h3,5-7H,2,4,14H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).