N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

C18H25N5O3S — CID 52907347

IUPACN,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-20(2)27(25,26)17-6-4-16(5-7-17)18(24)22-13-10-21(11-14-22)12-15-23-9-3-8-19-23/h3-9H,10-15H2,1-2H3
InChIKeyAPFLURQJNSCSTL-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.59
Rot. Bonds6

About N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 52907347) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID52907347
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1
InChIInChI=1S/C18H25N5O3S/c1-20(2)27(25,26)17-6-4-16(5-7-17)18(24)22-13-10-21(11-14-22)12-15-23-9-3-8-19-23/h3-9H,10-15H2,1-2H3
InChIKeyAPFLURQJNSCSTL-UHFFFAOYSA-N
XLogP0.59
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
(3,5-Dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 978267
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413
[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6469168
[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6470820
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
[4-(4-Methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 16333032
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934741
[4-(4-Methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 16332439

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 52907347) is N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is APFLURQJNSCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-20(2)27(25,26)17-6-4-16(5-7-17)18(24)22-13-10-21(11-14-22)12-15-23-9-3-8-19-23/h3-9H,10-15H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 52907347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).