1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one

C9H12ClN3O3S — CID 106150586

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H12ClN3O3S/c1-12-9(8(10)6-11-12)17(15,16)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3
InChIKeyMEPPCWNYHGDRCV-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.43
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one

1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one (PubChem CID 106150586) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one
PubChem CID106150586
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H12ClN3O3S/c1-12-9(8(10)6-11-12)17(15,16)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3
InChIKeyMEPPCWNYHGDRCV-UHFFFAOYSA-N
XLogP0.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one (CID 106150586) is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one is Cn1ncc(Cl)c1S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one?
The InChIKey is MEPPCWNYHGDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-12-9(8(10)6-11-12)17(15,16)13-4-2-7(14)3-5-13/h6H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one?
1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one has a molecular weight of 277.73 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 106150586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).