N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H15N3O3S — CID 47347568

IUPACN-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H15N3O3S/c1-11-9-14-16(10-11)8-7-13(17)15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyLDDPUOSESMHPGG-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.09
Rot. Bonds5

About N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 47347568) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID47347568
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H15N3O3S/c1-11-9-14-16(10-11)8-7-13(17)15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyLDDPUOSESMHPGG-UHFFFAOYSA-N
XLogP1.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
3-(4-methylpyrazol-1-yl)-N-(2,3,5,6-tetramethylphenyl)sulfonylpropanamide
CID 60554302
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
1-[5-(benzenesulfonyl)pentyl]-4-methylpyrazole
CID 99120854
N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 60554487
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 47347568) is N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is LDDPUOSESMHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-11-9-14-16(10-11)8-7-13(17)15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,17).
What are the key properties of N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 47347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).