5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide

C12H15FN4O2S — CID 79896455

IUPAC5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cc(F)c2C)cn1
InChIInChI=1S/C12H15FN4O2S/c1-3-17-7-10(6-15-17)16-20(18,19)12-5-9(14)4-11(13)8(12)2/h4-7,16H,3,14H2,1-2H3
InChIKeyWERCZLRDMYMAJI-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.73
Rot. Bonds4

About 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79896455) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79896455
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cc(F)c2C)cn1
InChIInChI=1S/C12H15FN4O2S/c1-3-17-7-10(6-15-17)16-20(18,19)12-5-9(14)4-11(13)8(12)2/h4-7,16H,3,14H2,1-2H3
InChIKeyWERCZLRDMYMAJI-UHFFFAOYSA-N
XLogP1.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43543231
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide (CID 79896455) is 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(N)cc(F)c2C)cn1.
What is the InChIKey of 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WERCZLRDMYMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-3-17-7-10(6-15-17)16-20(18,19)12-5-9(14)4-11(13)8(12)2/h4-7,16H,3,14H2,1-2H3.
What are the key properties of 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).