4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride

C13H9ClN2O4S — CID 3527834

IUPAC4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride
SMILESCOc1ccnc(Oc2ccc(S(=O)(=O)Cl)cc2)c1C#N
InChIInChI=1S/C13H9ClN2O4S/c1-19-12-6-7-16-13(11(12)8-15)20-9-2-4-10(5-3-9)21(14,17)18/h2-7H,1H3
InChIKeyYYOTVZUTTGEZQN-UHFFFAOYSA-N
MW324.75 g/mol
LogP2.68
Rot. Bonds4

About 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride

4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride (PubChem CID 3527834) has the molecular formula C13H9ClN2O4S and a molecular weight of 324.75 g/mol. Its IUPAC name is 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride
PubChem CID3527834
Molecular FormulaC13H9ClN2O4S
Molecular Weight324.75 g/mol
Exact Mass324.00
IUPAC Name4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride
SMILESCOc1ccnc(Oc2ccc(S(=O)(=O)Cl)cc2)c1C#N
InChIInChI=1S/C13H9ClN2O4S/c1-19-12-6-7-16-13(11(12)8-15)20-9-2-4-10(5-3-9)21(14,17)18/h2-7H,1H3
InChIKeyYYOTVZUTTGEZQN-UHFFFAOYSA-N
XLogP2.68
TPSA89.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
CID 1484341
2-(4-methoxyphenoxy)-4-phenylpyridine-3-carbonitrile
CID 1487474
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
2-[4-(3,5-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylphenoxy]-4-methoxypyridine-3-carbonitrile
CID 146025849
3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
CID 55279109
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
CID 170856608
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
3,4-dimethoxypyridine-2-sulfonyl chloride
CID 141469217
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
CID 1475658

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride (CID 3527834) is 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride is COc1ccnc(Oc2ccc(S(=O)(=O)Cl)cc2)c1C#N.
What is the InChIKey of 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride?
The InChIKey is YYOTVZUTTGEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4S/c1-19-12-6-7-16-13(11(12)8-15)20-9-2-4-10(5-3-9)21(14,17)18/h2-7H,1H3.
What are the key properties of 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride?
4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride has a molecular weight of 324.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-4-methoxy-2-pyridinyl)oxy]benzenesulfonyl chloride is sourced from PubChem (CID 3527834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).