5-acetyl-2-methoxybenzenesulfonyl chloride

C9H9ClO4S — CID 4737384

IUPAC5-acetyl-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3
InChIKeyUKLGNNCUSXYNLE-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.83
Rot. Bonds3

About 5-acetyl-2-methoxybenzenesulfonyl chloride

5-acetyl-2-methoxybenzenesulfonyl chloride (PubChem CID 4737384) has the molecular formula C9H9ClO4S and a molecular weight of 248.69 g/mol. Its IUPAC name is 5-acetyl-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-acetyl-2-methoxybenzenesulfonyl chloride
PubChem CID4737384
Molecular FormulaC9H9ClO4S
Molecular Weight248.69 g/mol
Exact Mass247.99
IUPAC Name5-acetyl-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3
InChIKeyUKLGNNCUSXYNLE-UHFFFAOYSA-N
XLogP1.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
sodium 5-acetyl-2-sulfanylbenzenesulfonyl chloride
CID 22351930
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
4-acetyl-2-methylbenzenesulfonyl chloride
CID 146613857
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-acetyl-2-methoxybenzenesulfonyl chloride (CID 4737384) is 5-acetyl-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-acetyl-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-acetyl-2-methoxybenzenesulfonyl chloride is COc1ccc(C(C)=O)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-acetyl-2-methoxybenzenesulfonyl chloride?
The InChIKey is UKLGNNCUSXYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3.
What are the key properties of 5-acetyl-2-methoxybenzenesulfonyl chloride?
5-acetyl-2-methoxybenzenesulfonyl chloride has a molecular weight of 248.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 4737384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).