3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide

C11H14N4O3S — CID 104617188

IUPAC3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H14N4O3S/c1-2-7-6-13-14-11(7)15-19(17,18)8-3-4-10(16)9(12)5-8/h3-6,16H,2,12H2,1H3,(H2,13,14,15)
InChIKeyVBHWLLQBRLKHTQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.06
Rot. Bonds4

About 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide

3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide (PubChem CID 104617188) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
PubChem CID104617188
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H14N4O3S/c1-2-7-6-13-14-11(7)15-19(17,18)8-3-4-10(16)9(12)5-8/h3-6,16H,2,12H2,1H3,(H2,13,14,15)
InChIKeyVBHWLLQBRLKHTQ-UHFFFAOYSA-N
XLogP1.06
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide (CID 104617188) is 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is VBHWLLQBRLKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-2-7-6-13-14-11(7)15-19(17,18)8-3-4-10(16)9(12)5-8/h3-6,16H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide?
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 104617188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).