[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid

C8H12BNO6S — CID 91759393

IUPAC[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid
SMILESCONS(=O)(=O)c1cc(B(O)O)ccc1OC
InChIInChI=1S/C8H12BNO6S/c1-15-7-4-3-6(9(11)12)5-8(7)17(13,14)10-16-2/h3-5,10-12H,1-2H3
InChIKeyJNGWWVVDZQGZHP-UHFFFAOYSA-N
MW261.06 g/mol
LogP-1.79
Rot. Bonds5

About [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid

[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid (PubChem CID 91759393) has the molecular formula C8H12BNO6S and a molecular weight of 261.06 g/mol. Its IUPAC name is [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid
PubChem CID91759393
Molecular FormulaC8H12BNO6S
Molecular Weight261.06 g/mol
Exact Mass261.05
IUPAC Name[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid
SMILESCONS(=O)(=O)c1cc(B(O)O)ccc1OC
InChIInChI=1S/C8H12BNO6S/c1-15-7-4-3-6(9(11)12)5-8(7)17(13,14)10-16-2/h3-5,10-12H,1-2H3
InChIKeyJNGWWVVDZQGZHP-UHFFFAOYSA-N
XLogP-1.79
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-[(4-methoxycyclohexyl)methylsulfamoyl]phenyl]boronic acid
CID 91759370
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
CID 70601990
CID 70601990
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
(4-fluoro-3-methylsulfonylphenyl)boronic acid
CID 121229084
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid?
The IUPAC name of [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid (CID 91759393) is [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid.
What is the SMILES notation for [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid?
The canonical SMILES for [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid is CONS(=O)(=O)c1cc(B(O)O)ccc1OC.
What is the InChIKey of [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid?
The InChIKey is JNGWWVVDZQGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO6S/c1-15-7-4-3-6(9(11)12)5-8(7)17(13,14)10-16-2/h3-5,10-12H,1-2H3.
What are the key properties of [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid?
[4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid has a molecular weight of 261.06 g/mol, XLogP of -1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(methoxysulfamoyl)phenyl]boronic acid is sourced from PubChem (CID 91759393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).