(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid

C10H13BFNO5S — CID 91759416

IUPAC(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid
SMILESO=S(=O)(c1ccc(B(O)O)cc1F)N1CCOCC1
InChIInChI=1S/C10H13BFNO5S/c12-9-7-8(11(14)15)1-2-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7,14-15H,3-6H2
InChIKeyKMIWFPHRSFCXTC-UHFFFAOYSA-N
MW289.09 g/mol
LogP-1.47
Rot. Bonds3

About (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid

(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid (PubChem CID 91759416) has the molecular formula C10H13BFNO5S and a molecular weight of 289.09 g/mol. Its IUPAC name is (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid
PubChem CID91759416
Molecular FormulaC10H13BFNO5S
Molecular Weight289.09 g/mol
Exact Mass289.06
IUPAC Name(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid
SMILESO=S(=O)(c1ccc(B(O)O)cc1F)N1CCOCC1
InChIInChI=1S/C10H13BFNO5S/c12-9-7-8(11(14)15)1-2-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7,14-15H,3-6H2
InChIKeyKMIWFPHRSFCXTC-UHFFFAOYSA-N
XLogP-1.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
CID 79187601
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
2-morpholin-4-ylsulfonylphenol
CID 79020270
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
(3-methoxy-5-morpholin-4-ylsulfonylphenyl)boronic acid
CID 127258270
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24983009
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid?
The IUPAC name of (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid (CID 91759416) is (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid is O=S(=O)(c1ccc(B(O)O)cc1F)N1CCOCC1.
What is the InChIKey of (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid?
The InChIKey is KMIWFPHRSFCXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFNO5S/c12-9-7-8(11(14)15)1-2-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7,14-15H,3-6H2.
What are the key properties of (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid?
(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid has a molecular weight of 289.09 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid is sourced from PubChem (CID 91759416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).