2-(oxan-4-yl)pyrazole-3-sulfonyl chloride

C8H11ClN2O3S — CID 84737715

IUPAC2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCOCC1
InChIInChI=1S/C8H11ClN2O3S/c9-15(12,13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyRJBINYQUIUSPPM-UHFFFAOYSA-N
MW250.71 g/mol
LogP1.16
Rot. Bonds2

About 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride

2-(oxan-4-yl)pyrazole-3-sulfonyl chloride (PubChem CID 84737715) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
PubChem CID84737715
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC Name2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1C1CCOCC1
InChIInChI=1S/C8H11ClN2O3S/c9-15(12,13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyRJBINYQUIUSPPM-UHFFFAOYSA-N
XLogP1.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride (CID 84737715) is 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride?
The InChIKey is RJBINYQUIUSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c9-15(12,13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2.
What are the key properties of 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride?
2-(oxan-4-yl)pyrazole-3-sulfonyl chloride has a molecular weight of 250.71 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 84737715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).