2-(2-sulfamoylphenyl)sulfanylbenzoate

C13H10NO4S2- — CID 6924052

IUPAC2-(2-sulfamoylphenyl)sulfanylbenzoate
SMILESNS(=O)(=O)c1ccccc1Sc1ccccc1C(=O)[O-]
InChIInChI=1S/C13H11NO4S2/c14-20(17,18)12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1
InChIKeyJLPPTVZTZNTYGH-UHFFFAOYSA-M
MW308.36 g/mol
LogP0.85
Rot. Bonds4

About 2-(2-sulfamoylphenyl)sulfanylbenzoate

2-(2-sulfamoylphenyl)sulfanylbenzoate (PubChem CID 6924052) has the molecular formula C13H10NO4S2- and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(2-sulfamoylphenyl)sulfanylbenzoate.

Molecular Properties

Compound Name2-(2-sulfamoylphenyl)sulfanylbenzoate
PubChem CID6924052
Molecular FormulaC13H10NO4S2-
Molecular Weight308.36 g/mol
Exact Mass308.01
IUPAC Name2-(2-sulfamoylphenyl)sulfanylbenzoate
SMILESNS(=O)(=O)c1ccccc1Sc1ccccc1C(=O)[O-]
InChIInChI=1S/C13H11NO4S2/c14-20(17,18)12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1
InChIKeyJLPPTVZTZNTYGH-UHFFFAOYSA-M
XLogP0.85
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylphenyl)sulfanylbenzoate?
The IUPAC name of 2-(2-sulfamoylphenyl)sulfanylbenzoate (CID 6924052) is 2-(2-sulfamoylphenyl)sulfanylbenzoate.
What is the SMILES notation for 2-(2-sulfamoylphenyl)sulfanylbenzoate?
The canonical SMILES for 2-(2-sulfamoylphenyl)sulfanylbenzoate is NS(=O)(=O)c1ccccc1Sc1ccccc1C(=O)[O-].
What is the InChIKey of 2-(2-sulfamoylphenyl)sulfanylbenzoate?
The InChIKey is JLPPTVZTZNTYGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO4S2/c14-20(17,18)12-8-4-3-7-11(12)19-10-6-2-1-5-9(10)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1.
What are the key properties of 2-(2-sulfamoylphenyl)sulfanylbenzoate?
2-(2-sulfamoylphenyl)sulfanylbenzoate has a molecular weight of 308.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylphenyl)sulfanylbenzoate is sourced from PubChem (CID 6924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).