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

C21H25N5O2S — CID 118714493

IUPAC2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(-n2cccn2)ccc1S(=O)(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H25N5O2S/c1-17-15-20(26-12-2-9-23-26)3-4-21(17)29(27,28)24-19-7-13-25(14-8-19)16-18-5-10-22-11-6-18/h2-6,9-12,15,19,24H,7-8,13-14,16H2,1H3
InChIKeyRJIDCHOBFSOOST-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.52
Rot. Bonds6

About 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide

2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 118714493) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID118714493
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(-n2cccn2)ccc1S(=O)(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H25N5O2S/c1-17-15-20(26-12-2-9-23-26)3-4-21(17)29(27,28)24-19-7-13-25(14-8-19)16-18-5-10-22-11-6-18/h2-6,9-12,15,19,24H,7-8,13-14,16H2,1H3
InChIKeyRJIDCHOBFSOOST-UHFFFAOYSA-N
XLogP2.52
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.52
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
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
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
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
N-({1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-8-quinolinesulfonamide
CID 24818878
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 118714493) is 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide is Cc1cc(-n2cccn2)ccc1S(=O)(=O)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is RJIDCHOBFSOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-17-15-20(26-12-2-9-23-26)3-4-21(17)29(27,28)24-19-7-13-25(14-8-19)16-18-5-10-22-11-6-18/h2-6,9-12,15,19,24H,7-8,13-14,16H2,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide?
2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 118714493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).