2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride

C9H12ClNO4S — CID 112573083

IUPAC2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
SMILESCOCC(C)Oc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-8(16(10,12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyVMWJWOLUKQEJRH-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride

2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride (PubChem CID 112573083) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
PubChem CID112573083
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
SMILESCOCC(C)Oc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-8(16(10,12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyVMWJWOLUKQEJRH-UHFFFAOYSA-N
XLogP1.42
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
CID 115928434
2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
CID 112572976
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
2-phenoxypyridine-3-sulfonyl chloride
CID 112572899
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936
6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112572758
2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 112572932
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride (CID 112573083) is 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride is COCC(C)Oc1ncccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
The InChIKey is VMWJWOLUKQEJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S/c1-7(6-14-2)15-9-8(16(10,12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride?
2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride has a molecular weight of 265.72 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112573083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).