N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide

C21H24N4O2S — CID 20914819

IUPACN-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27,21-11-9-20(10-12-21)25-16-4-13-22-25)23-19-7-5-18(6-8-19)17-24-14-2-1-3-15-24/h4-13,16,23H,1-3,14-15,17H2
InChIKeyWQIBHXSTPFHYAC-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914819) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914819
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27,21-11-9-20(10-12-21)25-16-4-13-22-25)23-19-7-5-18(6-8-19)17-24-14-2-1-3-15-24/h4-13,16,23H,1-3,14-15,17H2
InChIKeyWQIBHXSTPFHYAC-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
(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-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-[5-(4-Amino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10110427
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
4-[5-(4-Dimethylamino-3-fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10812437
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 20914819) is N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is WQIBHXSTPFHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27,21-11-9-20(10-12-21)25-16-4-13-22-25)23-19-7-5-18(6-8-19)17-24-14-2-1-3-15-24/h4-13,16,23H,1-3,14-15,17H2.
What are the key properties of N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).