3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide

C15H19N3O3S — CID 19585201

IUPAC3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCCn1cccn1
InChIInChI=1S/C15H19N3O3S/c19-15(16-9-4-11-18-12-5-10-17-18)8-13-22(20,21)14-6-2-1-3-7-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,16,19)
InChIKeyZKPQEWKULCADFF-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.25
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide

3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 19585201) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID19585201
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCCn1cccn1
InChIInChI=1S/C15H19N3O3S/c19-15(16-9-4-11-18-12-5-10-17-18)8-13-22(20,21)14-6-2-1-3-7-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,16,19)
InChIKeyZKPQEWKULCADFF-UHFFFAOYSA-N
XLogP1.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31844345
3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide
CID 39992334
2-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 45822004
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918
N-[2-(benzenesulfonyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554661
N-ethyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]propanamide
CID 53582062
3-(Benzenesulfonyl)-1-(3-pyrazol-1-ylpiperidin-1-yl)propan-1-one
CID 53597212
N-[2-(benzenesulfonyl)ethyl]-2-pyrazol-1-ylethanamine
CID 53618553
1-(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 71809236
3-(benzenesulfonyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 72140794
1-(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)-3-(phenylsulfonyl)propan-1-one
CID 86266953
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3-(phenylsulfonyl)propanamide
CID 49678052

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide (CID 19585201) is 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCCn1cccn1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is ZKPQEWKULCADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-15(16-9-4-11-18-12-5-10-17-18)8-13-22(20,21)14-6-2-1-3-7-14/h1-3,5-7,10,12H,4,8-9,11,13H2,(H,16,19).
What are the key properties of 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide?
3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 321.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 19585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).