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

C13H15N3O3S — CID 47298388

IUPACN-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O3S/c1-16-10-11(9-14-16)7-8-13(17)15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyYRNJGYLKAQKUOP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.86
Rot. Bonds5

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

N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 47298388) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID47298388
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O3S/c1-16-10-11(9-14-16)7-8-13(17)15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyYRNJGYLKAQKUOP-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47347568
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
CID 75392033
N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
CID 96531022
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 94580103
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55875990
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 47298388) is N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is YRNJGYLKAQKUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16-10-11(9-14-16)7-8-13(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-(1-methylpyrazol-4-yl)propanamide?
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47298388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).