4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide

C9H13ClN4O3S — CID 106150651

IUPAC4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H13ClN4O3S/c1-14-9(7(10)5-12-14)18(16,17)13-6-2-3-8(15)11-4-6/h5-6,13H,2-4H2,1H3,(H,11,15)
InChIKeyIYYDMFVULRWWLR-UHFFFAOYSA-N
MW292.75 g/mol
LogP-0.37
Rot. Bonds3

About 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide (PubChem CID 106150651) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide
PubChem CID106150651
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H13ClN4O3S/c1-14-9(7(10)5-12-14)18(16,17)13-6-2-3-8(15)11-4-6/h5-6,13H,2-4H2,1H3,(H,11,15)
InChIKeyIYYDMFVULRWWLR-UHFFFAOYSA-N
XLogP-0.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide (CID 106150651) is 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1.
What is the InChIKey of 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide?
The InChIKey is IYYDMFVULRWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c1-14-9(7(10)5-12-14)18(16,17)13-6-2-3-8(15)11-4-6/h5-6,13H,2-4H2,1H3,(H,11,15).
What are the key properties of 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide has a molecular weight of 292.75 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(6-oxopiperidin-3-yl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106150651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).