2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid

C11H11Cl2NO5S — CID 80717277

IUPAC2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NC2CCOC2)c1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-7-1-2-8(10(13)9(7)11(15)16)20(17,18)14-6-3-4-19-5-6/h1-2,6,14H,3-5H2,(H,15,16)
InChIKeyVSWKYHDJEOIFQG-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.76
Rot. Bonds4

About 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid

2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid (PubChem CID 80717277) has the molecular formula C11H11Cl2NO5S and a molecular weight of 340.18 g/mol. Its IUPAC name is 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
PubChem CID80717277
Molecular FormulaC11H11Cl2NO5S
Molecular Weight340.18 g/mol
Exact Mass338.97
IUPAC Name2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NC2CCOC2)c1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-7-1-2-8(10(13)9(7)11(15)16)20(17,18)14-6-3-4-19-5-6/h1-2,6,14H,3-5H2,(H,15,16)
InChIKeyVSWKYHDJEOIFQG-UHFFFAOYSA-N
XLogP1.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid (CID 80717277) is 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid is O=C(O)c1c(Cl)ccc(S(=O)(=O)NC2CCOC2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid?
The InChIKey is VSWKYHDJEOIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5S/c12-7-1-2-8(10(13)9(7)11(15)16)20(17,18)14-6-3-4-19-5-6/h1-2,6,14H,3-5H2,(H,15,16).
What are the key properties of 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid?
2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid has a molecular weight of 340.18 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 80717277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).