2-(4-sulfamoylphenyl)acetic acid

C8H9NO4S — CID 6483854

IUPAC2-(4-sulfamoylphenyl)acetic acid
SMILESNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyONVURFJRZJXWDD-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.04
Rot. Bonds3

About 2-(4-sulfamoylphenyl)acetic acid

2-(4-sulfamoylphenyl)acetic acid (PubChem CID 6483854) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(4-sulfamoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-sulfamoylphenyl)acetic acid
PubChem CID6483854
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-(4-sulfamoylphenyl)acetic acid
SMILESNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C8H9NO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyONVURFJRZJXWDD-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenyl)acetic acid?
The IUPAC name of 2-(4-sulfamoylphenyl)acetic acid (CID 6483854) is 2-(4-sulfamoylphenyl)acetic acid.
What is the SMILES notation for 2-(4-sulfamoylphenyl)acetic acid?
The canonical SMILES for 2-(4-sulfamoylphenyl)acetic acid is NS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-sulfamoylphenyl)acetic acid?
The InChIKey is ONVURFJRZJXWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 2-(4-sulfamoylphenyl)acetic acid?
2-(4-sulfamoylphenyl)acetic acid has a molecular weight of 215.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenyl)acetic acid is sourced from PubChem (CID 6483854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).