2,4-dichloro-5-sulfamoylbenzoic acid

C7H5Cl2NO4S — CID 17655

IUPAC2,4-dichloro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyZSHHRBYVHTVRFK-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.34
Rot. Bonds2

About 2,4-dichloro-5-sulfamoylbenzoic acid

2,4-dichloro-5-sulfamoylbenzoic acid (PubChem CID 17655) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is 2,4-dichloro-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-sulfamoylbenzoic acid
PubChem CID17655
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Name2,4-dichloro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyZSHHRBYVHTVRFK-UHFFFAOYSA-N
XLogP1.34
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-sulfamoylbenzoic acid?
The IUPAC name of 2,4-dichloro-5-sulfamoylbenzoic acid (CID 17655) is 2,4-dichloro-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2,4-dichloro-5-sulfamoylbenzoic acid?
The canonical SMILES for 2,4-dichloro-5-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-sulfamoylbenzoic acid?
The InChIKey is ZSHHRBYVHTVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14).
What are the key properties of 2,4-dichloro-5-sulfamoylbenzoic acid?
2,4-dichloro-5-sulfamoylbenzoic acid has a molecular weight of 270.09 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-sulfamoylbenzoic acid is sourced from PubChem (CID 17655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).