5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride

C8H5Cl3O4S — CID 116739971

IUPAC5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(Cl)cc1C(=O)Cl
InChIInChI=1S/C8H5Cl3O4S/c1-15-6-3-7(16(11,13)14)5(9)2-4(6)8(10)12/h2-3H,1H3
InChIKeyOXXZYGAGGAFFNB-UHFFFAOYSA-N
MW303.55 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride

5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride (PubChem CID 116739971) has the molecular formula C8H5Cl3O4S and a molecular weight of 303.55 g/mol. Its IUPAC name is 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
PubChem CID116739971
Molecular FormulaC8H5Cl3O4S
Molecular Weight303.55 g/mol
Exact Mass301.90
IUPAC Name5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(Cl)cc1C(=O)Cl
InChIInChI=1S/C8H5Cl3O4S/c1-15-6-3-7(16(11,13)14)5(9)2-4(6)8(10)12/h2-3H,1H3
InChIKeyOXXZYGAGGAFFNB-UHFFFAOYSA-N
XLogP2.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
5-chloro-2-methoxy-4-[methoxy(methyl)sulfamoyl]benzoic acid
CID 146108647
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
methyl 5-chloro-4-chlorosulfonyl-2-nitrobenzoate
CID 131511242
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
2-methoxy-4-sulfamoylbenzoyl chloride
CID 86142188
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
2-methoxy-5-(trifluoromethylsulfonyl)benzenesulfonyl chloride
CID 62499252

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride?
The IUPAC name of 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride (CID 116739971) is 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride.
What is the SMILES notation for 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride?
The canonical SMILES for 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride is COc1cc(S(=O)(=O)Cl)c(Cl)cc1C(=O)Cl.
What is the InChIKey of 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride?
The InChIKey is OXXZYGAGGAFFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O4S/c1-15-6-3-7(16(11,13)14)5(9)2-4(6)8(10)12/h2-3H,1H3.
What are the key properties of 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride?
5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride has a molecular weight of 303.55 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride is sourced from PubChem (CID 116739971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).