2,6-dichloro-3-chlorosulfonylbenzoic acid

C7H3Cl3O4S — CID 3538216

IUPAC2,6-dichloro-3-chlorosulfonylbenzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl3O4S/c8-3-1-2-4(15(10,13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyRVCLISIPGZGQPU-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.62
Rot. Bonds2

About 2,6-dichloro-3-chlorosulfonylbenzoic acid

2,6-dichloro-3-chlorosulfonylbenzoic acid (PubChem CID 3538216) has the molecular formula C7H3Cl3O4S and a molecular weight of 289.52 g/mol. Its IUPAC name is 2,6-dichloro-3-chlorosulfonylbenzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-chlorosulfonylbenzoic acid
PubChem CID3538216
Molecular FormulaC7H3Cl3O4S
Molecular Weight289.52 g/mol
Exact Mass287.88
IUPAC Name2,6-dichloro-3-chlorosulfonylbenzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl3O4S/c8-3-1-2-4(15(10,13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyRVCLISIPGZGQPU-UHFFFAOYSA-N
XLogP2.62
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-chlorosulfonylbenzoic acid?
The IUPAC name of 2,6-dichloro-3-chlorosulfonylbenzoic acid (CID 3538216) is 2,6-dichloro-3-chlorosulfonylbenzoic acid.
What is the SMILES notation for 2,6-dichloro-3-chlorosulfonylbenzoic acid?
The canonical SMILES for 2,6-dichloro-3-chlorosulfonylbenzoic acid is O=C(O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,6-dichloro-3-chlorosulfonylbenzoic acid?
The InChIKey is RVCLISIPGZGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O4S/c8-3-1-2-4(15(10,13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2,6-dichloro-3-chlorosulfonylbenzoic acid?
2,6-dichloro-3-chlorosulfonylbenzoic acid has a molecular weight of 289.52 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-chlorosulfonylbenzoic acid is sourced from PubChem (CID 3538216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).