(5-chloro-2-iodophenyl)methanesulfonyl chloride

C7H5Cl2IO2S — CID 130841670

IUPAC(5-chloro-2-iodophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)ccc1I
InChIInChI=1S/C7H5Cl2IO2S/c8-6-1-2-7(10)5(3-6)4-13(9,11)12/h1-3H,4H2
InChIKeyFHRBNNSABCKNCC-UHFFFAOYSA-N
MW350.99 g/mol
LogP3.01
Rot. Bonds2

About (5-chloro-2-iodophenyl)methanesulfonyl chloride

(5-chloro-2-iodophenyl)methanesulfonyl chloride (PubChem CID 130841670) has the molecular formula C7H5Cl2IO2S and a molecular weight of 350.99 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)methanesulfonyl chloride
PubChem CID130841670
Molecular FormulaC7H5Cl2IO2S
Molecular Weight350.99 g/mol
Exact Mass349.84
IUPAC Name(5-chloro-2-iodophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)ccc1I
InChIInChI=1S/C7H5Cl2IO2S/c8-6-1-2-7(10)5(3-6)4-13(9,11)12/h1-3H,4H2
InChIKeyFHRBNNSABCKNCC-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 53.01
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

(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
CID 160827893
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2-iodophenyl)methanesulfonyl chloride (CID 130841670) is (5-chloro-2-iodophenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2-iodophenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2-iodophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)methanesulfonyl chloride?
The InChIKey is FHRBNNSABCKNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2IO2S/c8-6-1-2-7(10)5(3-6)4-13(9,11)12/h1-3H,4H2.
What are the key properties of (5-chloro-2-iodophenyl)methanesulfonyl chloride?
(5-chloro-2-iodophenyl)methanesulfonyl chloride has a molecular weight of 350.99 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)methanesulfonyl chloride is sourced from PubChem (CID 130841670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).