1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine

C17H22ClN3O3S — CID 72549098

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cc1
InChIInChI=1S/C17H22ClN3O3S/c1-12-4-6-14(7-5-12)24-15-8-10-21(11-9-15)25(22,23)16-13(2)19-20(3)17(16)18/h4-7,15H,8-11H2,1-3H3
InChIKeyHUKSKLPHAFYRMC-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.92
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine (PubChem CID 72549098) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
PubChem CID72549098
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cc1
InChIInChI=1S/C17H22ClN3O3S/c1-12-4-6-14(7-5-12)24-15-8-10-21(11-9-15)25(22,23)16-13(2)19-20(3)17(16)18/h4-7,15H,8-11H2,1-3H3
InChIKeyHUKSKLPHAFYRMC-UHFFFAOYSA-N
XLogP2.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenoxy-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549319
{4-(4-methoxybenzyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinyl}methanol
CID 16188536
4-(4-Chloro-2-methoxybenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72196236
4-(4-Chloro-2-methoxybenzyl)-4-fluoro-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72547672
4-((4-Chlorophenyl)(methoxy)methyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72547904
4-(4-Methylphenoxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72548856
4-(4-Chlorophenoxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72548857
4-(2,4-Dichlorophenoxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549100
4-(Naphthalen-2-yloxy)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549544
4-(2,4-Dichlorophenoxy)-1-[(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549548
4-(4-Chloro-2-fluorophenoxy)-1-(trimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 72549550
5-Chloro-2-{[1-(trimethyl-1H-pyrazole-4-sulfonyl)piperidin-4-yl]oxy}benzonitrile
CID 72549786

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine (CID 72549098) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine is Cc1ccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cc1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The InChIKey is HUKSKLPHAFYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-12-4-6-14(7-5-12)24-15-8-10-21(11-9-15)25(22,23)16-13(2)19-20(3)17(16)18/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine has a molecular weight of 383.90 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine is sourced from PubChem (CID 72549098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).