(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride

C5H8BClN2O4S — CID 154575030

IUPAC(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride
SMILESCl.NS(=O)(=O)c1cncc(B(O)O)c1
InChIInChI=1S/C5H7BN2O4S.ClH/c7-13(11,12)5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H,(H2,7,11,12);1H
InChIKeyUBEZKNTUTKXQLI-UHFFFAOYSA-N
MW238.46 g/mol
LogP-2.17
Rot. Bonds2

About (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride

(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 154575030) has the molecular formula C5H8BClN2O4S and a molecular weight of 238.46 g/mol. Its IUPAC name is (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride
PubChem CID154575030
Molecular FormulaC5H8BClN2O4S
Molecular Weight238.46 g/mol
Exact Mass238.00
IUPAC Name(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride
SMILESCl.NS(=O)(=O)c1cncc(B(O)O)c1
InChIInChI=1S/C5H7BN2O4S.ClH/c7-13(11,12)5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H,(H2,7,11,12);1H
InChIKeyUBEZKNTUTKXQLI-UHFFFAOYSA-N
XLogP-2.17
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.46
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(propan-2-ylsulfamoyl)-3-pyridinyl]boronic acid
CID 133059770
5-cyanopyridine-3-sulfonamide
CID 119031917
pyridine-3-sulfonamide;hydrochloride
CID 67156649
benzenesulfonamide;boric acid
CID 160795607
CID 118692694
CID 118692694
[5-(1-aminocyclopropyl)-3-pyridinyl]boronic acid
CID 55296556
ethane;pyrimidin-5-ylboronic acid
CID 143168754
6-amino-5-hydroxypyridine-3-sulfonamide
CID 70443789
5-(cyclopropylmethoxy)pyridine-3-sulfonamide
CID 175287072
[5-[4-[(5-borono-3-pyridinyl)oxy]but-2-enoxy]-3-pyridinyl]boronic acid
CID 70960856
[4-fluoro-3-(4-sulfamoylphenyl)phenyl]boronic acid
CID 71548098
(2-amino-4-pyridinyl)boronic acid;hydrochloride
CID 73012140

Frequently Asked Questions

What is the IUPAC name of (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride?
The IUPAC name of (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride (CID 154575030) is (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride is Cl.NS(=O)(=O)c1cncc(B(O)O)c1.
What is the InChIKey of (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride?
The InChIKey is UBEZKNTUTKXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2O4S.ClH/c7-13(11,12)5-1-4(6(9)10)2-8-3-5;/h1-3,9-10H,(H2,7,11,12);1H.
What are the key properties of (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride?
(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 238.46 g/mol, XLogP of -2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 154575030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).