1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

C17H23N3O3S — CID 71781190

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1C
InChIInChI=1S/C17H23N3O3S/c1-14-12-16(4-5-17(14)23-2)24(21,22)20-10-6-15(7-11-20)13-19-9-3-8-18-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeyJXZYEUVWOSKZOF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 71781190) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID71781190
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1C
InChIInChI=1S/C17H23N3O3S/c1-14-12-16(4-5-17(14)23-2)24(21,22)20-10-6-15(7-11-20)13-19-9-3-8-18-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3
InChIKeyJXZYEUVWOSKZOF-UHFFFAOYSA-N
XLogP2.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 7765645
1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-1-methylpyrazole-4-sulfonamide
CID 127037921
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127039593
N,1-dimethyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127041259
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-sulfonamide
CID 127041564
N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127042185
N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464697
1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
CID 6469348
4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 4089498

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (CID 71781190) is 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is COc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is JXZYEUVWOSKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14-12-16(4-5-17(14)23-2)24(21,22)20-10-6-15(7-11-20)13-19-9-3-8-18-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 349.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).