N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide

C12H13N3O3S — CID 47268516

IUPACN-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3S/c16-12(7-10-15-9-4-8-13-15)14-19(17,18)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,16)
InChIKeyJMNUNIFZGFFIEG-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.78
Rot. Bonds5

About N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide

N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide (PubChem CID 47268516) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
PubChem CID47268516
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3S/c16-12(7-10-15-9-4-8-13-15)14-19(17,18)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,16)
InChIKeyJMNUNIFZGFFIEG-UHFFFAOYSA-N
XLogP0.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47347568
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide (CID 47268516) is N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is JMNUNIFZGFFIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-12(7-10-15-9-4-8-13-15)14-19(17,18)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,16).
What are the key properties of N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide?
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 279.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47268516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).