4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide

C9H11ClN4O4S — CID 106315082

IUPAC4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H11ClN4O4S/c1-14-9(5(10)4-11-14)19(17,18)13-6-2-3-7(15)12-8(6)16/h4,6,13H,2-3H2,1H3,(H,12,15,16)
InChIKeyTZJRSXUWJFOTGL-UHFFFAOYSA-N
MW306.73 g/mol
LogP-0.84
Rot. Bonds3

About 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106315082) has the molecular formula C9H11ClN4O4S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide
PubChem CID106315082
Molecular FormulaC9H11ClN4O4S
Molecular Weight306.73 g/mol
Exact Mass306.02
IUPAC Name4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H11ClN4O4S/c1-14-9(5(10)4-11-14)19(17,18)13-6-2-3-7(15)12-8(6)16/h4,6,13H,2-3H2,1H3,(H,12,15,16)
InChIKeyTZJRSXUWJFOTGL-UHFFFAOYSA-N
XLogP-0.84
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide (CID 106315082) is 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is TZJRSXUWJFOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O4S/c1-14-9(5(10)4-11-14)19(17,18)13-6-2-3-7(15)12-8(6)16/h4,6,13H,2-3H2,1H3,(H,12,15,16).
What are the key properties of 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 306.73 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dioxopiperidin-3-yl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106315082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).