N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide

C24H23N5O4S — CID 158985545

IUPACN,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide
SMILESCC1=NN(c2cccc(S(=O)(=O)N(C)C)c2)C(=O)C1C(=O)Cc1cccc(-c2cnccn2)c1
InChIInChI=1S/C24H23N5O4S/c1-16-23(22(30)13-17-6-4-7-18(12-17)21-15-25-10-11-26-21)24(31)29(27-16)19-8-5-9-20(14-19)34(32,33)28(2)3/h4-12,14-15,23H,13H2,1-3H3
InChIKeyJPNIPPHCTRDRDP-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.54
Rot. Bonds7

About N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide

N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide (PubChem CID 158985545) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide
PubChem CID158985545
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide
SMILESCC1=NN(c2cccc(S(=O)(=O)N(C)C)c2)C(=O)C1C(=O)Cc1cccc(-c2cnccn2)c1
InChIInChI=1S/C24H23N5O4S/c1-16-23(22(30)13-17-6-4-7-18(12-17)21-15-25-10-11-26-21)24(31)29(27-16)19-8-5-9-20(14-19)34(32,33)28(2)3/h4-12,14-15,23H,13H2,1-3H3
InChIKeyJPNIPPHCTRDRDP-UHFFFAOYSA-N
XLogP2.54
TPSA112.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]-2-(4-methoxy-3-pyridin-3-ylphenyl)-5-methyl-4H-pyrazol-3-one
CID 152785673
N-[3-(dimethylsulfamoyl)phenyl]-2-ethanimidoyl-N'-(3-pyrazin-2-ylphenyl)propanediamide
CID 176781463
1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide
CID 139433355
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 171387338
N,N-dimethylazulene-5-sulfonamide
CID 67469153
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
(1,3-diphenylpyrazol-4-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 2093367
3-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-4H-pyrazole-4-carboxamide
CID 155304009
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate
CID 71680293

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide (CID 158985545) is N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide is CC1=NN(c2cccc(S(=O)(=O)N(C)C)c2)C(=O)C1C(=O)Cc1cccc(-c2cnccn2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JPNIPPHCTRDRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-23(22(30)13-17-6-4-7-18(12-17)21-15-25-10-11-26-21)24(31)29(27-16)19-8-5-9-20(14-19)34(32,33)28(2)3/h4-12,14-15,23H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide?
N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide has a molecular weight of 477.55 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-methyl-5-oxo-4-[2-(3-pyrazin-2-ylphenyl)acetyl]-4H-pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 158985545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).