1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol

C16H19Cl2N3O3S — CID 2777780

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-14(15(18)20(2)19-11)25(23,24)21-9-7-16(22,8-10-21)12-3-5-13(17)6-4-12/h3-6,22H,7-10H2,1-2H3
InChIKeyOVKMTGOWOTZDGY-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 2777780) 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-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID2777780
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19Cl2N3O3S/c1-11-14(15(18)20(2)19-11)25(23,24)21-9-7-16(22,8-10-21)12-3-5-13(17)6-4-12/h3-6,22H,7-10H2,1-2H3
InChIKeyOVKMTGOWOTZDGY-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
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-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol (CID 2777780) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is OVKMTGOWOTZDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-11-14(15(18)20(2)19-11)25(23,24)21-9-7-16(22,8-10-21)12-3-5-13(17)6-4-12/h3-6,22H,7-10H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 404.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 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-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 2777780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).