2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone

C14H10ClIO3S — CID 102574143

IUPAC2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone
SMILESO=C(c1ccc(Cl)cc1)C(I)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10ClIO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,14H
InChIKeyUIABUGGMWQKLMT-UHFFFAOYSA-N
MW420.66 g/mol
LogP3.76
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone

2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone (PubChem CID 102574143) has the molecular formula C14H10ClIO3S and a molecular weight of 420.66 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone
PubChem CID102574143
Molecular FormulaC14H10ClIO3S
Molecular Weight420.66 g/mol
Exact Mass419.91
IUPAC Name2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone
SMILESO=C(c1ccc(Cl)cc1)C(I)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10ClIO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,14H
InChIKeyUIABUGGMWQKLMT-UHFFFAOYSA-N
XLogP3.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 53.76
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'}

Analyze 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
CID 62916858
[1-(benzenesulfonyl)-2-(4-chlorophenyl)-2-oxoethyl] 4-methylbenzenesulfonate
CID 12002946
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
2-iodo-2-methylsulfonyl-1-(4-phenylphenyl)ethanone
CID 102549568
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
1-[4-(benzenesulfonyl)phenyl]-2,2-dichloroethanone
CID 3008749
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
1-(4-chlorophenyl)-2,2-dihydroxyethanone;1-phenylethanone
CID 174917583
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
2-(benzenesulfonyl)-2-(4-chlorophenyl)acetonitrile
CID 10424403

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone (CID 102574143) is 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone is O=C(c1ccc(Cl)cc1)C(I)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone?
The InChIKey is UIABUGGMWQKLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIO3S/c15-11-8-6-10(7-9-11)13(17)14(16)20(18,19)12-4-2-1-3-5-12/h1-9,14H.
What are the key properties of 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone?
2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone has a molecular weight of 420.66 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone is sourced from PubChem (CID 102574143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).