2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone

C15H13ClO4S — CID 64644445

IUPAC2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO4S/c1-20-15-5-3-2-4-13(15)14(17)10-21(18,19)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyIIEWGZDTMUBTIA-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone

2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone (PubChem CID 64644445) has the molecular formula C15H13ClO4S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
PubChem CID64644445
Molecular FormulaC15H13ClO4S
Molecular Weight324.79 g/mol
Exact Mass324.02
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO4S/c1-20-15-5-3-2-4-13(15)14(17)10-21(18,19)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyIIEWGZDTMUBTIA-UHFFFAOYSA-N
XLogP3.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfonylphenyl]-3-methylbutan-1-one
CID 158823685
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
3-(2-methoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94688299
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
CID 44586473
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone (CID 64644445) is 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone?
The InChIKey is IIEWGZDTMUBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4S/c1-20-15-5-3-2-4-13(15)14(17)10-21(18,19)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone?
2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone has a molecular weight of 324.79 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 64644445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).