1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene

C12H6Cl2I2O2S — CID 90274683

IUPAC1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene
SMILESO=S(=O)(c1ccc(Cl)c(I)c1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H6Cl2I2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyLRFBXBZLNYEGBN-UHFFFAOYSA-N
MW538.96 g/mol
LogP5.04
Rot. Bonds2

About 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene

1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene (PubChem CID 90274683) has the molecular formula C12H6Cl2I2O2S and a molecular weight of 538.96 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene
PubChem CID90274683
Molecular FormulaC12H6Cl2I2O2S
Molecular Weight538.96 g/mol
Exact Mass537.76
IUPAC Name1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene
SMILESO=S(=O)(c1ccc(Cl)c(I)c1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H6Cl2I2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H
InChIKeyLRFBXBZLNYEGBN-UHFFFAOYSA-N
XLogP5.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.96
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(dichloromethylsulfonyl)-2-iodobenzene
CID 71395243
dipotassium;2-chloro-5-(4-chloro-3-sulfonatophenyl)sulfonylbenzenesulfonate
CID 23071661
1-chloro-4-(4-chloro-3-methylsulfanylphenyl)sulfonyl-2-methylsulfanylbenzene
CID 1069375
2-chloro-4-(3-chloro-4-sulfidophenyl)sulfonylbenzenethiolate
CID 7241638
1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
CID 2388443
1-[2-chloro-5-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
CID 1101755
5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide
CID 76852477
4-chloro-3-iodobenzoyl chloride
CID 57349940
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
1,2-dichloro-4-(3-nitrophenyl)sulfonylbenzene
CID 154259440
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
4-chloro-3-iodobenzonitrile
CID 16659396

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene?
The IUPAC name of 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene (CID 90274683) is 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene.
What is the SMILES notation for 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene?
The canonical SMILES for 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene is O=S(=O)(c1ccc(Cl)c(I)c1)c1ccc(Cl)c(I)c1.
What is the InChIKey of 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene?
The InChIKey is LRFBXBZLNYEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2I2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H.
What are the key properties of 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene?
1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene has a molecular weight of 538.96 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloro-3-iodophenyl)sulfonyl-2-iodobenzene is sourced from PubChem (CID 90274683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).