1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine

C14H17N3O2S — CID 110270729

IUPAC1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H17N3O2S/c18-20(19,12-6-2-1-3-7-12)17-11-5-4-8-14(17)13-9-10-15-16-13/h1-3,6-7,9-10,14H,4-5,8,11H2,(H,15,16)
InChIKeyPJIIDUXONQWWLW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.33
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine

1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 110270729) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine
PubChem CID110270729
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H17N3O2S/c18-20(19,12-6-2-1-3-7-12)17-11-5-4-8-14(17)13-9-10-15-16-13/h1-3,6-7,9-10,14H,4-5,8,11H2,(H,15,16)
InChIKeyPJIIDUXONQWWLW-UHFFFAOYSA-N
XLogP2.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine (CID 110270729) is 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine is O=S(=O)(c1ccccc1)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is PJIIDUXONQWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,12-6-2-1-3-7-12)17-11-5-4-8-14(17)13-9-10-15-16-13/h1-3,6-7,9-10,14H,4-5,8,11H2,(H,15,16).
What are the key properties of 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine?
1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 291.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 110270729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).