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

C13H16N4O3S — CID 115698308

IUPAC4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n[nH]1
InChIInChI=1S/C13H16N4O3S/c1-2-3-10-8-12(16-15-10)17-21(19,20)11-6-4-9(5-7-11)13(14)18/h4-8H,2-3H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyDWCDOGWXJUBNRX-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.26
Rot. Bonds6

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

4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide (PubChem CID 115698308) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
PubChem CID115698308
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n[nH]1
InChIInChI=1S/C13H16N4O3S/c1-2-3-10-8-12(16-15-10)17-21(19,20)11-6-4-9(5-7-11)13(14)18/h4-8H,2-3H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyDWCDOGWXJUBNRX-UHFFFAOYSA-N
XLogP1.26
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
4-[(4-fluorophenyl)sulfamoyl]-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 166179203
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
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
3-amino-2,6-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616869
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide (CID 115698308) is 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide is CCCc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n[nH]1.
What is the InChIKey of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
The InChIKey is DWCDOGWXJUBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-3-10-8-12(16-15-10)17-21(19,20)11-6-4-9(5-7-11)13(14)18/h4-8H,2-3H2,1H3,(H2,14,18)(H2,15,16,17).
What are the key properties of 4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide?
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide has a molecular weight of 308.36 g/mol, XLogP of 1.26, 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]benzamide is sourced from PubChem (CID 115698308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).