4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

C13H15N3O4S — CID 104617482

IUPAC4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n[nH]1
InChIInChI=1S/C13H15N3O4S/c1-2-3-10-8-12(15-14-10)16-21(19,20)11-6-4-9(5-7-11)13(17)18/h4-8H,2-3H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyQPIYUSLFSJPNGD-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.86
Rot. Bonds6

About 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 104617482) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID104617482
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n[nH]1
InChIInChI=1S/C13H15N3O4S/c1-2-3-10-8-12(15-14-10)16-21(19,20)11-6-4-9(5-7-11)13(17)18/h4-8H,2-3H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyQPIYUSLFSJPNGD-UHFFFAOYSA-N
XLogP1.86
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
4-[(4-fluorophenyl)sulfamoyl]-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 166179203
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
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
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619451

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (CID 104617482) is 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is CCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n[nH]1.
What is the InChIKey of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is QPIYUSLFSJPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-2-3-10-8-12(15-14-10)16-21(19,20)11-6-4-9(5-7-11)13(17)18/h4-8H,2-3H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 104617482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).