2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H12Cl2N2O5S — CID 43514531

IUPAC2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-15(2)9(16)5-14-21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4,14H,5H2,1-2H3,(H,17,18)
InChIKeyFMZDTZFSGKJXIY-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.06
Rot. Bonds5

About 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43514531) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43514531
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-15(2)9(16)5-14-21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4,14H,5H2,1-2H3,(H,17,18)
InChIKeyFMZDTZFSGKJXIY-UHFFFAOYSA-N
XLogP1.06
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43514531) is 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CN(C)C(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl.
What is the InChIKey of 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is FMZDTZFSGKJXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c1-15(2)9(16)5-14-21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4,14H,5H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 355.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43514531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).