chlorosulfonyl benzoate;hydrochloride

C7H6Cl2O4S — CID 87590926

IUPACchlorosulfonyl benzoate;hydrochloride
SMILESCl.O=C(OS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C7H5ClO4S.ClH/c8-13(10,11)12-7(9)6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyIHDPLIVLIRGNIF-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.75
Rot. Bonds2

About chlorosulfonyl benzoate;hydrochloride

chlorosulfonyl benzoate;hydrochloride (PubChem CID 87590926) has the molecular formula C7H6Cl2O4S and a molecular weight of 257.09 g/mol. Its IUPAC name is chlorosulfonyl benzoate;hydrochloride.

Molecular Properties

Compound Namechlorosulfonyl benzoate;hydrochloride
PubChem CID87590926
Molecular FormulaC7H6Cl2O4S
Molecular Weight257.09 g/mol
Exact Mass255.94
IUPAC Namechlorosulfonyl benzoate;hydrochloride
SMILESCl.O=C(OS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C7H5ClO4S.ClH/c8-13(10,11)12-7(9)6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyIHDPLIVLIRGNIF-UHFFFAOYSA-N
XLogP1.75
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl benzoate;hydrochloride?
The IUPAC name of chlorosulfonyl benzoate;hydrochloride (CID 87590926) is chlorosulfonyl benzoate;hydrochloride.
What is the SMILES notation for chlorosulfonyl benzoate;hydrochloride?
The canonical SMILES for chlorosulfonyl benzoate;hydrochloride is Cl.O=C(OS(=O)(=O)Cl)c1ccccc1.
What is the InChIKey of chlorosulfonyl benzoate;hydrochloride?
The InChIKey is IHDPLIVLIRGNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO4S.ClH/c8-13(10,11)12-7(9)6-4-2-1-3-5-6;/h1-5H;1H.
What are the key properties of chlorosulfonyl benzoate;hydrochloride?
chlorosulfonyl benzoate;hydrochloride has a molecular weight of 257.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl benzoate;hydrochloride is sourced from PubChem (CID 87590926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).