2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride

C9H14ClN3O2S — CID 84738434

IUPAC2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride
SMILESCN1CCC(n2nccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClN3O2S/c1-12-6-3-8(4-7-12)13-9(2-5-11-13)16(10,14)15/h2,5,8H,3-4,6-7H2,1H3
InChIKeyDXFZGJDMCOUFEJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride

2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride (PubChem CID 84738434) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride
PubChem CID84738434
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride
SMILESCN1CCC(n2nccc2S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClN3O2S/c1-12-6-3-8(4-7-12)13-9(2-5-11-13)16(10,14)15/h2,5,8H,3-4,6-7H2,1H3
InChIKeyDXFZGJDMCOUFEJ-UHFFFAOYSA-N
XLogP1.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride (CID 84738434) is 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride is CN1CCC(n2nccc2S(=O)(=O)Cl)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride?
The InChIKey is DXFZGJDMCOUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-12-6-3-8(4-7-12)13-9(2-5-11-13)16(10,14)15/h2,5,8H,3-4,6-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride?
2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride has a molecular weight of 263.75 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84738434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).