ethyl 2,5-dichloro-3-chlorosulfonylbenzoate

C9H7Cl3O4S — CID 43436811

IUPACethyl 2,5-dichloro-3-chlorosulfonylbenzoate
SMILESCCOC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H7Cl3O4S/c1-2-16-9(13)6-3-5(10)4-7(8(6)11)17(12,14)15/h3-4H,2H2,1H3
InChIKeyUZIAFTRTCBKUPE-UHFFFAOYSA-N
MW317.58 g/mol
LogP3.10
Rot. Bonds3

About ethyl 2,5-dichloro-3-chlorosulfonylbenzoate

ethyl 2,5-dichloro-3-chlorosulfonylbenzoate (PubChem CID 43436811) has the molecular formula C9H7Cl3O4S and a molecular weight of 317.58 g/mol. Its IUPAC name is ethyl 2,5-dichloro-3-chlorosulfonylbenzoate.

Molecular Properties

Compound Nameethyl 2,5-dichloro-3-chlorosulfonylbenzoate
PubChem CID43436811
Molecular FormulaC9H7Cl3O4S
Molecular Weight317.58 g/mol
Exact Mass315.91
IUPAC Nameethyl 2,5-dichloro-3-chlorosulfonylbenzoate
SMILESCCOC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H7Cl3O4S/c1-2-16-9(13)6-3-5(10)4-7(8(6)11)17(12,14)15/h3-4H,2H2,1H3
InChIKeyUZIAFTRTCBKUPE-UHFFFAOYSA-N
XLogP3.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxyethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 65373182
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
2-ethoxyethyl 5-chloro-3-chlorosulfonyl-2-methylbenzoate
CID 82890673
cyclopentylmethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 66324019
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
2-methylpropyl 5-chloro-3-chlorosulfonyl-2-methylbenzoate
CID 82890756
ethyl 5-chloro-2-fluorosulfonylbenzoate
CID 165461101
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 2-bromo-3-chlorosulfonyl-5-methylbenzoate
CID 81223045
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396321

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dichloro-3-chlorosulfonylbenzoate?
The IUPAC name of ethyl 2,5-dichloro-3-chlorosulfonylbenzoate (CID 43436811) is ethyl 2,5-dichloro-3-chlorosulfonylbenzoate.
What is the SMILES notation for ethyl 2,5-dichloro-3-chlorosulfonylbenzoate?
The canonical SMILES for ethyl 2,5-dichloro-3-chlorosulfonylbenzoate is CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of ethyl 2,5-dichloro-3-chlorosulfonylbenzoate?
The InChIKey is UZIAFTRTCBKUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O4S/c1-2-16-9(13)6-3-5(10)4-7(8(6)11)17(12,14)15/h3-4H,2H2,1H3.
What are the key properties of ethyl 2,5-dichloro-3-chlorosulfonylbenzoate?
ethyl 2,5-dichloro-3-chlorosulfonylbenzoate has a molecular weight of 317.58 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dichloro-3-chlorosulfonylbenzoate is sourced from PubChem (CID 43436811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).