2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride

C8H5Cl3O3S — CID 88831964

IUPAC2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
SMILESO=C(CCl)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H5Cl3O3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2
InChIKeyRRBZPYPKGORQNG-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride

2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride (PubChem CID 88831964) has the molecular formula C8H5Cl3O3S and a molecular weight of 287.55 g/mol. Its IUPAC name is 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
PubChem CID88831964
Molecular FormulaC8H5Cl3O3S
Molecular Weight287.55 g/mol
Exact Mass285.90
IUPAC Name2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
SMILESO=C(CCl)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H5Cl3O3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2
InChIKeyRRBZPYPKGORQNG-UHFFFAOYSA-N
XLogP2.69
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
1-(3-tert-butyl-4-chlorophenyl)-2-chloroethanone
CID 22760488
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
CID 86735248
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
2-chloro-5-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115522582
4-methylpentan-2-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65397533
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
2-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 79187613
2-(2-methylpropoxy)ethyl 4-chloro-3-chlorosulfonylbenzoate
CID 106450840
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
N-butyl-2-chloro-5-propanoylbenzenesulfonamide
CID 39431604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride (CID 88831964) is 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride is O=C(CCl)c1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride?
The InChIKey is RRBZPYPKGORQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2.
What are the key properties of 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride?
2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride has a molecular weight of 287.55 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride is sourced from PubChem (CID 88831964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).