4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide

C20H23N5O2S — CID 118714492

IUPAC4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5O2S/c26-28(27,20-4-2-19(3-5-20)25-13-1-10-22-25)23-18-8-14-24(15-9-18)16-17-6-11-21-12-7-17/h1-7,10-13,18,23H,8-9,14-16H2
InChIKeyIGJNWDSSVRBHHP-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.21
Rot. Bonds6

About 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide

4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 118714492) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID118714492
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5O2S/c26-28(27,20-4-2-19(3-5-20)25-13-1-10-22-25)23-18-8-14-24(15-9-18)16-17-6-11-21-12-7-17/h1-7,10-13,18,23H,8-9,14-16H2
InChIKeyIGJNWDSSVRBHHP-UHFFFAOYSA-N
XLogP2.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 44435096
4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 9626454
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
Piperazine moiety, 3
CID 57339811
N-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 3238629
N-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]benzenesulfonamide
CID 5310184
N-benzylidene-N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}amine
CID 6877641
N-ethyl-N-(3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022080
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 118714492) is 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is IGJNWDSSVRBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c26-28(27,20-4-2-19(3-5-20)25-13-1-10-22-25)23-18-8-14-24(15-9-18)16-17-6-11-21-12-7-17/h1-7,10-13,18,23H,8-9,14-16H2.
What are the key properties of 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 118714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).