(4-chloro-3-chlorosulfonylphenyl) formate

C7H4Cl2O4S — CID 118940512

IUPAC(4-chloro-3-chlorosulfonylphenyl) formate
SMILESO=COc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H4Cl2O4S/c8-6-2-1-5(13-4-10)3-7(6)14(9,11)12/h1-4H
InChIKeyLQOUTWUTVHOYIC-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.80
Rot. Bonds3

About (4-chloro-3-chlorosulfonylphenyl) formate

(4-chloro-3-chlorosulfonylphenyl) formate (PubChem CID 118940512) has the molecular formula C7H4Cl2O4S and a molecular weight of 255.08 g/mol. Its IUPAC name is (4-chloro-3-chlorosulfonylphenyl) formate.

Molecular Properties

Compound Name(4-chloro-3-chlorosulfonylphenyl) formate
PubChem CID118940512
Molecular FormulaC7H4Cl2O4S
Molecular Weight255.08 g/mol
Exact Mass253.92
IUPAC Name(4-chloro-3-chlorosulfonylphenyl) formate
SMILESO=COc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H4Cl2O4S/c8-6-2-1-5(13-4-10)3-7(6)14(9,11)12/h1-4H
InChIKeyLQOUTWUTVHOYIC-UHFFFAOYSA-N
XLogP1.80
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-chlorosulfonylphenyl) formate?
The IUPAC name of (4-chloro-3-chlorosulfonylphenyl) formate (CID 118940512) is (4-chloro-3-chlorosulfonylphenyl) formate.
What is the SMILES notation for (4-chloro-3-chlorosulfonylphenyl) formate?
The canonical SMILES for (4-chloro-3-chlorosulfonylphenyl) formate is O=COc1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of (4-chloro-3-chlorosulfonylphenyl) formate?
The InChIKey is LQOUTWUTVHOYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O4S/c8-6-2-1-5(13-4-10)3-7(6)14(9,11)12/h1-4H.
What are the key properties of (4-chloro-3-chlorosulfonylphenyl) formate?
(4-chloro-3-chlorosulfonylphenyl) formate has a molecular weight of 255.08 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-chlorosulfonylphenyl) formate is sourced from PubChem (CID 118940512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).