2-(2-bromo-4-sulfamoylphenoxy)acetic acid

C8H8BrNO5S — CID 43164345

IUPAC2-(2-bromo-4-sulfamoylphenoxy)acetic acid
SMILESNS(=O)(=O)c1ccc(OCC(=O)O)c(Br)c1
InChIInChI=1S/C8H8BrNO5S/c9-6-3-5(16(10,13)14)1-2-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14)
InChIKeyVVEBGFVMTURSSL-UHFFFAOYSA-N
MW310.13 g/mol
LogP0.56
Rot. Bonds4

About 2-(2-bromo-4-sulfamoylphenoxy)acetic acid

2-(2-bromo-4-sulfamoylphenoxy)acetic acid (PubChem CID 43164345) has the molecular formula C8H8BrNO5S and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-(2-bromo-4-sulfamoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-sulfamoylphenoxy)acetic acid
PubChem CID43164345
Molecular FormulaC8H8BrNO5S
Molecular Weight310.13 g/mol
Exact Mass308.93
IUPAC Name2-(2-bromo-4-sulfamoylphenoxy)acetic acid
SMILESNS(=O)(=O)c1ccc(OCC(=O)O)c(Br)c1
InChIInChI=1S/C8H8BrNO5S/c9-6-3-5(16(10,13)14)1-2-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14)
InChIKeyVVEBGFVMTURSSL-UHFFFAOYSA-N
XLogP0.56
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
2-[2-(2-chloro-5-sulfamoylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11315819
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
2-(3-carboxypropoxy)-5-sulfamoylbenzoic acid
CID 43342335
3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
CID 82916878
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
3-bromo-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921916

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-sulfamoylphenoxy)acetic acid?
The IUPAC name of 2-(2-bromo-4-sulfamoylphenoxy)acetic acid (CID 43164345) is 2-(2-bromo-4-sulfamoylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-bromo-4-sulfamoylphenoxy)acetic acid?
The canonical SMILES for 2-(2-bromo-4-sulfamoylphenoxy)acetic acid is NS(=O)(=O)c1ccc(OCC(=O)O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-sulfamoylphenoxy)acetic acid?
The InChIKey is VVEBGFVMTURSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO5S/c9-6-3-5(16(10,13)14)1-2-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(2-bromo-4-sulfamoylphenoxy)acetic acid?
2-(2-bromo-4-sulfamoylphenoxy)acetic acid has a molecular weight of 310.13 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-sulfamoylphenoxy)acetic acid is sourced from PubChem (CID 43164345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).