3-(sulfamoylmethyl)benzoic acid

C8H9NO4S — CID 43362445

IUPAC3-(sulfamoylmethyl)benzoic acid
SMILESNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyLNLWKMAZBPYIJG-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.17
Rot. Bonds3

About 3-(sulfamoylmethyl)benzoic acid

3-(sulfamoylmethyl)benzoic acid (PubChem CID 43362445) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-(sulfamoylmethyl)benzoic acid.

Molecular Properties

Compound Name3-(sulfamoylmethyl)benzoic acid
PubChem CID43362445
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name3-(sulfamoylmethyl)benzoic acid
SMILESNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyLNLWKMAZBPYIJG-UHFFFAOYSA-N
XLogP0.17
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(sulfamoylmethyl)benzoic acid?
The IUPAC name of 3-(sulfamoylmethyl)benzoic acid (CID 43362445) is 3-(sulfamoylmethyl)benzoic acid.
What is the SMILES notation for 3-(sulfamoylmethyl)benzoic acid?
The canonical SMILES for 3-(sulfamoylmethyl)benzoic acid is NS(=O)(=O)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(sulfamoylmethyl)benzoic acid?
The InChIKey is LNLWKMAZBPYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-14(12,13)5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 3-(sulfamoylmethyl)benzoic acid?
3-(sulfamoylmethyl)benzoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfamoylmethyl)benzoic acid is sourced from PubChem (CID 43362445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).