2,4-dichloro-5-sulfamoylbenzoate

C7H4Cl2NO4S- — CID 3092240

IUPAC2,4-dichloro-5-sulfamoylbenzoate
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)/p-1
InChIKeyZSHHRBYVHTVRFK-UHFFFAOYSA-M
MW269.09 g/mol
LogP0.00
Rot. Bonds2

About 2,4-dichloro-5-sulfamoylbenzoate

2,4-dichloro-5-sulfamoylbenzoate (PubChem CID 3092240) has the molecular formula C7H4Cl2NO4S- and a molecular weight of 269.09 g/mol. Its IUPAC name is 2,4-dichloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2,4-dichloro-5-sulfamoylbenzoate
PubChem CID3092240
Molecular FormulaC7H4Cl2NO4S-
Molecular Weight269.09 g/mol
Exact Mass267.92
IUPAC Name2,4-dichloro-5-sulfamoylbenzoate
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)/p-1
InChIKeyZSHHRBYVHTVRFK-UHFFFAOYSA-M
XLogP0.00
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-sulfamoylbenzoate?
The IUPAC name of 2,4-dichloro-5-sulfamoylbenzoate (CID 3092240) is 2,4-dichloro-5-sulfamoylbenzoate.
What is the SMILES notation for 2,4-dichloro-5-sulfamoylbenzoate?
The canonical SMILES for 2,4-dichloro-5-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-sulfamoylbenzoate?
The InChIKey is ZSHHRBYVHTVRFK-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2,4-dichloro-5-sulfamoylbenzoate?
2,4-dichloro-5-sulfamoylbenzoate has a molecular weight of 269.09 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-sulfamoylbenzoate is sourced from PubChem (CID 3092240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).