6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

C24H24N4O3S — CID 46834602

IUPAC6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)nc1
InChIInChI=1S/C24H24N4O3S/c1-3-27(20-12-8-5-9-13-20)32(30,31)21-14-15-23(25-17-21)28-24(29)22(18(2)26-28)16-19-10-6-4-7-11-19/h4-15,17,26H,3,16H2,1-2H3
InChIKeySDFGRSXHEMOMML-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.68
Rot. Bonds7

About 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 46834602) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID46834602
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)nc1
InChIInChI=1S/C24H24N4O3S/c1-3-27(20-12-8-5-9-13-20)32(30,31)21-14-15-23(25-17-21)28-24(29)22(18(2)26-28)16-19-10-6-4-7-11-19/h4-15,17,26H,3,16H2,1-2H3
InChIKeySDFGRSXHEMOMML-UHFFFAOYSA-N
XLogP3.68
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
CID 46701025
6-[4-benzyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 67453516
N-ethyl-6-[4-[(3-methoxy-2-pyridinyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
CID 67455314
6-(5-benzyl-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 46832023
3-[[5-ethyl-2-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylbenzoic acid
CID 67462663
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 46700955
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 60504570
4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 46834055
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 46834602) is 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccc3)c2=O)nc1.
What is the InChIKey of 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is SDFGRSXHEMOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-3-27(20-12-8-5-9-13-20)32(30,31)21-14-15-23(25-17-21)28-24(29)22(18(2)26-28)16-19-10-6-4-7-11-19/h4-15,17,26H,3,16H2,1-2H3.
What are the key properties of 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 448.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 46834602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).