[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid

C11H10BClN2O5S — CID 142785949

IUPAC[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
SMILESO=S(=O)(Nc1cc(OB(O)O)cnc1Cl)c1ccccc1
InChIInChI=1S/C11H10BClN2O5S/c13-11-10(6-8(7-14-11)20-12(16)17)15-21(18,19)9-4-2-1-3-5-9/h1-7,15-17H
InChIKeyNUZUBGIABWOENY-UHFFFAOYSA-N
MW328.54 g/mol
LogP0.88
Rot. Bonds5

About [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid

[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid (PubChem CID 142785949) has the molecular formula C11H10BClN2O5S and a molecular weight of 328.54 g/mol. Its IUPAC name is [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
PubChem CID142785949
Molecular FormulaC11H10BClN2O5S
Molecular Weight328.54 g/mol
Exact Mass328.01
IUPAC Name[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid
SMILESO=S(=O)(Nc1cc(OB(O)O)cnc1Cl)c1ccccc1
InChIInChI=1S/C11H10BClN2O5S/c13-11-10(6-8(7-14-11)20-12(16)17)15-21(18,19)9-4-2-1-3-5-9/h1-7,15-17H
InChIKeyNUZUBGIABWOENY-UHFFFAOYSA-N
XLogP0.88
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
CID 174952677
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 86620385
N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 59613730
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid?
The IUPAC name of [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid (CID 142785949) is [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid.
What is the SMILES notation for [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid?
The canonical SMILES for [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid is O=S(=O)(Nc1cc(OB(O)O)cnc1Cl)c1ccccc1.
What is the InChIKey of [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid?
The InChIKey is NUZUBGIABWOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BClN2O5S/c13-11-10(6-8(7-14-11)20-12(16)17)15-21(18,19)9-4-2-1-3-5-9/h1-7,15-17H.
What are the key properties of [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid?
[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid has a molecular weight of 328.54 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonamido)-6-chloro-3-pyridinyl]oxyboronic acid is sourced from PubChem (CID 142785949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).