2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone

C10H10ClIO3S — CID 102549723

IUPAC2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone
SMILESCCS(=O)(=O)C(Cl)(I)C(=O)c1ccccc1
InChIInChI=1S/C10H10ClIO3S/c1-2-16(14,15)10(11,12)9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyFXLNJWCWPLNIRU-UHFFFAOYSA-N
MW372.61 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone

2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone (PubChem CID 102549723) has the molecular formula C10H10ClIO3S and a molecular weight of 372.61 g/mol. Its IUPAC name is 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone.

Molecular Properties

Compound Name2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone
PubChem CID102549723
Molecular FormulaC10H10ClIO3S
Molecular Weight372.61 g/mol
Exact Mass371.91
IUPAC Name2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone
SMILESCCS(=O)(=O)C(Cl)(I)C(=O)c1ccccc1
InChIInChI=1S/C10H10ClIO3S/c1-2-16(14,15)10(11,12)9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyFXLNJWCWPLNIRU-UHFFFAOYSA-N
XLogP2.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-chloro-2-ethylsulfonyl-2-iodoethanone
CID 102549728
2-bromo-2-ethylsulfonyl-2-iodo-1-phenylethanone
CID 102549841
2-chloro-2-iodo-1-(4-methylphenyl)-2-methylsulfonylethanone
CID 102549712
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-bromo-2-chloro-2-ethylsulfonyl-1-phenylethanol
CID 102550237
2-chloro-1,2,2-triphenylethanone
CID 11301235
1-(3-aminophenyl)-2-chloro-2-iodo-2-methylsulfonylethanone
CID 102549711
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
benzoic acid;sulfuryl difluoride
CID 22153377
2-bromo-2-iodo-2-(4-methylphenyl)sulfonyl-1-phenylethanone
CID 86259619
2-chloro-2-iodo-1-(4-methoxyphenyl)-2-methylsulfonylethanone
CID 102549721
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone?
The IUPAC name of 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone (CID 102549723) is 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone.
What is the SMILES notation for 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone?
The canonical SMILES for 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone is CCS(=O)(=O)C(Cl)(I)C(=O)c1ccccc1.
What is the InChIKey of 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone?
The InChIKey is FXLNJWCWPLNIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO3S/c1-2-16(14,15)10(11,12)9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone?
2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone has a molecular weight of 372.61 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-ethylsulfonyl-2-iodo-1-phenylethanone is sourced from PubChem (CID 102549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).