chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate

C7H3Cl2FO6S2 — CID 90980810

IUPACchlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
SMILESO=C(OS(=O)(=O)Cl)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H3Cl2FO6S2/c8-17(12,13)6-3-4(1-2-5(6)10)7(11)16-18(9,14)15/h1-3H
InChIKeyDFFDUUUSUYETLP-UHFFFAOYSA-N
MW337.13 g/mol
LogP1.39
Rot. Bonds3

About chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate

chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate (PubChem CID 90980810) has the molecular formula C7H3Cl2FO6S2 and a molecular weight of 337.13 g/mol. Its IUPAC name is chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate.

Molecular Properties

Compound Namechlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
PubChem CID90980810
Molecular FormulaC7H3Cl2FO6S2
Molecular Weight337.13 g/mol
Exact Mass335.87
IUPAC Namechlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
SMILESO=C(OS(=O)(=O)Cl)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H3Cl2FO6S2/c8-17(12,13)6-3-4(1-2-5(6)10)7(11)16-18(9,14)15/h1-3H
InChIKeyDFFDUUUSUYETLP-UHFFFAOYSA-N
XLogP1.39
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
butan-2-yl 3-chlorosulfonyl-4-fluorobenzoate
CID 65397892
butyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65395773
5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
CID 86048949
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371150
chlorosulfonyl benzoate;hydrochloride
CID 87590926
methyl 3-chlorosulfonyl-4-methylsulfanylbenzoate
CID 89176261
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate?
The IUPAC name of chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate (CID 90980810) is chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate.
What is the SMILES notation for chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate?
The canonical SMILES for chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate is O=C(OS(=O)(=O)Cl)c1ccc(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate?
The InChIKey is DFFDUUUSUYETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO6S2/c8-17(12,13)6-3-4(1-2-5(6)10)7(11)16-18(9,14)15/h1-3H.
What are the key properties of chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate?
chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate has a molecular weight of 337.13 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate is sourced from PubChem (CID 90980810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).