5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

C13H18N4O2S — CID 104617190

IUPAC5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C13H18N4O2S/c1-3-9-5-6-11(14)7-12(9)20(18,19)17-13-10(4-2)8-15-16-13/h5-8H,3-4,14H2,1-2H3,(H2,15,16,17)
InChIKeyWVIFVYOUKATYFD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.92
Rot. Bonds5

About 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104617190) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104617190
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C13H18N4O2S/c1-3-9-5-6-11(14)7-12(9)20(18,19)17-13-10(4-2)8-15-16-13/h5-8H,3-4,14H2,1-2H3,(H2,15,16,17)
InChIKeyWVIFVYOUKATYFD-UHFFFAOYSA-N
XLogP1.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.92
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-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylsulfonylmethanesulfonamide
CID 104621010
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 104620958
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617678
5-amino-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104617190) is 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1CC.
What is the InChIKey of 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is WVIFVYOUKATYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-9-5-6-11(14)7-12(9)20(18,19)17-13-10(4-2)8-15-16-13/h5-8H,3-4,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104617190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).