2,4-dichloro-5-(diethylsulfamoyl)benzoic acid

C11H13Cl2NO4S — CID 767908

IUPAC2,4-dichloro-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyPJAZEADZNVJRAL-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.72
Rot. Bonds5

About 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid

2,4-dichloro-5-(diethylsulfamoyl)benzoic acid (PubChem CID 767908) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(diethylsulfamoyl)benzoic acid
PubChem CID767908
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2,4-dichloro-5-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyPJAZEADZNVJRAL-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid (CID 767908) is 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid?
The InChIKey is PJAZEADZNVJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-3-14(4-2)19(17,18)10-5-7(11(15)16)8(12)6-9(10)13/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid?
2,4-dichloro-5-(diethylsulfamoyl)benzoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 767908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).