3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H16N4O3S — CID 104616817

IUPAC3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(O)c(N)c2)n[nH]1
InChIInChI=1S/C12H16N4O3S/c1-2-3-8-6-12(15-14-8)16-20(18,19)9-4-5-11(17)10(13)7-9/h4-7,17H,2-3,13H2,1H3,(H2,14,15,16)
InChIKeyYSXPEFKLJNVKOL-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616817) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616817
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(O)c(N)c2)n[nH]1
InChIInChI=1S/C12H16N4O3S/c1-2-3-8-6-12(15-14-8)16-20(18,19)9-4-5-11(17)10(13)7-9/h4-7,17H,2-3,13H2,1H3,(H2,14,15,16)
InChIKeyYSXPEFKLJNVKOL-UHFFFAOYSA-N
XLogP1.45
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.45
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

6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 104620727
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
3-amino-2,6-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616869
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616854
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616817) is 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(O)c(N)c2)n[nH]1.
What is the InChIKey of 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is YSXPEFKLJNVKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-3-8-6-12(15-14-8)16-20(18,19)9-4-5-11(17)10(13)7-9/h4-7,17H,2-3,13H2,1H3,(H2,14,15,16).
What are the key properties of 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).