N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H15N3O3S — CID 3240936

IUPACN-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H15N3O3S/c1-8-13(9(2)15-14-8)20(18,19)16-12-6-4-5-11(7-12)10(3)17/h4-7,16H,1-3H3,(H,14,15)
InChIKeyYSMHCGHQAQMGNE-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.03
Rot. Bonds4

About N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 3240936) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID3240936
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H15N3O3S/c1-8-13(9(2)15-14-8)20(18,19)16-12-6-4-5-11(7-12)10(3)17/h4-7,16H,1-3H3,(H,14,15)
InChIKeyYSMHCGHQAQMGNE-UHFFFAOYSA-N
XLogP2.03
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 3240936) is N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YSMHCGHQAQMGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-13(9(2)15-14-8)20(18,19)16-12-6-4-5-11(7-12)10(3)17/h4-7,16H,1-3H3,(H,14,15).
What are the key properties of N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 3240936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).