3-bromo-5-sulfamoylbenzoic acid

C7H6BrNO4S — CID 13145700

IUPAC3-bromo-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C7H6BrNO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyFAVKCYMTHGESLZ-UHFFFAOYSA-N
MW280.10 g/mol
LogP0.79
Rot. Bonds2

About 3-bromo-5-sulfamoylbenzoic acid

3-bromo-5-sulfamoylbenzoic acid (PubChem CID 13145700) has the molecular formula C7H6BrNO4S and a molecular weight of 280.10 g/mol. Its IUPAC name is 3-bromo-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name3-bromo-5-sulfamoylbenzoic acid
PubChem CID13145700
Molecular FormulaC7H6BrNO4S
Molecular Weight280.10 g/mol
Exact Mass278.92
IUPAC Name3-bromo-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C7H6BrNO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyFAVKCYMTHGESLZ-UHFFFAOYSA-N
XLogP0.79
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-sulfamoylbenzoic acid?
The IUPAC name of 3-bromo-5-sulfamoylbenzoic acid (CID 13145700) is 3-bromo-5-sulfamoylbenzoic acid.
What is the SMILES notation for 3-bromo-5-sulfamoylbenzoic acid?
The canonical SMILES for 3-bromo-5-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-sulfamoylbenzoic acid?
The InChIKey is FAVKCYMTHGESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13).
What are the key properties of 3-bromo-5-sulfamoylbenzoic acid?
3-bromo-5-sulfamoylbenzoic acid has a molecular weight of 280.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-sulfamoylbenzoic acid is sourced from PubChem (CID 13145700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).