N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide

C21H24N4O2S — CID 20914805

IUPACN-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27,21-9-7-20(8-10-21)25-14-4-13-22-25)23-19-11-15-24(16-12-19)17-18-5-2-1-3-6-18/h1-10,13-14,19,23H,11-12,15-17H2
InChIKeyDDZYZLOKWKWPSR-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.82
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914805) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914805
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27,21-9-7-20(8-10-21)25-14-4-13-22-25)23-19-11-15-24(16-12-19)17-18-5-2-1-3-6-18/h1-10,13-14,19,23H,11-12,15-17H2
InChIKeyDDZYZLOKWKWPSR-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(piperidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11562491
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine
CID 11706478
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 44435096
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-(pyrrolidin-1-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11656415
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 24906240
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-pyrazol-1-yl-benzenesulfonyl)-piperidine
CID 44387776
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44454500

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914805) is N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DDZYZLOKWKWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27,21-9-7-20(8-10-21)25-14-4-13-22-25)23-19-11-15-24(16-12-19)17-18-5-2-1-3-6-18/h1-10,13-14,19,23H,11-12,15-17H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).