4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine

C16H19Cl2N3O3S — CID 72549792

IUPAC4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine
SMILESCc1cnn(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-10-19-20(2)16(11)25(22,23)21-7-5-13(6-8-21)24-15-4-3-12(17)9-14(15)18/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyQCMDYTSNEDLAHY-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.27
Rot. Bonds4

About 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine

4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine (PubChem CID 72549792) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine
PubChem CID72549792
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC Name4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine
SMILESCc1cnn(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-10-19-20(2)16(11)25(22,23)21-7-5-13(6-8-21)24-15-4-3-12(17)9-14(15)18/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyQCMDYTSNEDLAHY-UHFFFAOYSA-N
XLogP3.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine (CID 72549792) is 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine is Cc1cnn(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine?
The InChIKey is QCMDYTSNEDLAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-11-10-19-20(2)16(11)25(22,23)21-7-5-13(6-8-21)24-15-4-3-12(17)9-14(15)18/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine?
4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine has a molecular weight of 404.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-1-(1,4-dimethylpyrazol-5-yl)sulfonylpiperidine is sourced from PubChem (CID 72549792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).