6-morpholin-4-ylpyridine-3-sulfonyl chloride

C9H11ClN2O3S — CID 2776462

IUPAC6-morpholin-4-ylpyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H11ClN2O3S/c10-16(13,14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2
InChIKeyFZQDEGBLWSULKG-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.85
Rot. Bonds2

About 6-morpholin-4-ylpyridine-3-sulfonyl chloride

6-morpholin-4-ylpyridine-3-sulfonyl chloride (PubChem CID 2776462) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-3-sulfonyl chloride
PubChem CID2776462
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name6-morpholin-4-ylpyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C9H11ClN2O3S/c10-16(13,14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2
InChIKeyFZQDEGBLWSULKG-UHFFFAOYSA-N
XLogP0.85
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-morpholin-4-ylpyridine-3-sulfonyl chloride (CID 2776462) is 6-morpholin-4-ylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-morpholin-4-ylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-morpholin-4-ylpyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-ylpyridine-3-sulfonyl chloride?
The InChIKey is FZQDEGBLWSULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c10-16(13,14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 6-morpholin-4-ylpyridine-3-sulfonyl chloride?
6-morpholin-4-ylpyridine-3-sulfonyl chloride has a molecular weight of 262.72 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 2776462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).