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

C16H19Cl2N3O3S — CID 72549102

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-15(16(18)20(2)19-11)25(22,23)21-9-7-14(8-10-21)24-13-5-3-12(17)4-6-13/h3-6,14H,7-10H2,1-2H3
InChIKeyBWPUNNRMHDOFIJ-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.27
Rot. Bonds4

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

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine (PubChem CID 72549102) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine
PubChem CID72549102
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-15(16(18)20(2)19-11)25(22,23)21-9-7-14(8-10-21)24-13-5-3-12(17)4-6-13/h3-6,14H,7-10H2,1-2H3
InChIKeyBWPUNNRMHDOFIJ-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 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine (CID 72549102) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine?
The InChIKey is BWPUNNRMHDOFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-11-15(16(18)20(2)19-11)25(22,23)21-9-7-14(8-10-21)24-13-5-3-12(17)4-6-13/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine 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 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenoxy)piperidine is sourced from PubChem (CID 72549102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).