1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine

C22H25N3O3S — CID 71842265

IUPAC1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3cnn(-c4cccc(C)c4)c3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-17-4-3-5-20(14-17)25-16-19(15-23-25)18-10-12-24(13-11-18)29(26,27)22-8-6-21(28-2)7-9-22/h3-9,14-16,18H,10-13H2,1-2H3
InChIKeyHDNXTMMUYJDPGB-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine

1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine (PubChem CID 71842265) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
PubChem CID71842265
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3cnn(-c4cccc(C)c4)c3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-17-4-3-5-20(14-17)25-16-19(15-23-25)18-10-12-24(13-11-18)29(26,27)22-8-6-21(28-2)7-9-22/h3-9,14-16,18H,10-13H2,1-2H3
InChIKeyHDNXTMMUYJDPGB-UHFFFAOYSA-N
XLogP3.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine (CID 71842265) is 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine is COc1ccc(S(=O)(=O)N2CCC(c3cnn(-c4cccc(C)c4)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
The InChIKey is HDNXTMMUYJDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-17-4-3-5-20(14-17)25-16-19(15-23-25)18-10-12-24(13-11-18)29(26,27)22-8-6-21(28-2)7-9-22/h3-9,14-16,18H,10-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine?
1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine has a molecular weight of 411.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 71842265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).