1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine

C21H23N3O2S — CID 53165426

IUPAC1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]n2)c1
InChIInChI=1S/C21H23N3O2S/c1-16-6-5-7-18(14-16)21-15-20(22-23-21)17-10-12-24(13-11-17)27(25,26)19-8-3-2-4-9-19/h2-9,14-15,17H,10-13H2,1H3,(H,22,23)
InChIKeyGFQOWCCMROGHIL-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.95
Rot. Bonds4

About 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine

1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 53165426) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID53165426
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]n2)c1
InChIInChI=1S/C21H23N3O2S/c1-16-6-5-7-18(14-16)21-15-20(22-23-21)17-10-12-24(13-11-17)27(25,26)19-8-3-2-4-9-19/h2-9,14-15,17H,10-13H2,1H3,(H,22,23)
InChIKeyGFQOWCCMROGHIL-UHFFFAOYSA-N
XLogP3.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 53165426) is 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1cccc(-c2cc(C3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]n2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is GFQOWCCMROGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-16-6-5-7-18(14-16)21-15-20(22-23-21)17-10-12-24(13-11-17)27(25,26)19-8-3-2-4-9-19/h2-9,14-15,17H,10-13H2,1H3,(H,22,23).
What are the key properties of 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 381.50 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 53165426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).