[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid

C7H9BFNO4S — CID 163339184

IUPAC[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid
SMILESCS(=O)(=O)Nc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C7H9BFNO4S/c1-15(13,14)10-5-2-3-6(8(11)12)7(9)4-5/h2-4,10-12H,1H3
InChIKeyAFQHPMFXNFVPIB-UHFFFAOYSA-N
MW233.03 g/mol
LogP-1.12
Rot. Bonds3

About [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid

[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid (PubChem CID 163339184) has the molecular formula C7H9BFNO4S and a molecular weight of 233.03 g/mol. Its IUPAC name is [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid
PubChem CID163339184
Molecular FormulaC7H9BFNO4S
Molecular Weight233.03 g/mol
Exact Mass233.03
IUPAC Name[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid
SMILESCS(=O)(=O)Nc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C7H9BFNO4S/c1-15(13,14)10-5-2-3-6(8(11)12)7(9)4-5/h2-4,10-12H,1H3
InChIKeyAFQHPMFXNFVPIB-UHFFFAOYSA-N
XLogP-1.12
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
N-(3,5-difluoro-4-methylphenyl)methanesulfonamide
CID 166140237
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
[2-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371107
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
[3-[4-(methanesulfonamido)phenyl]-5-methylphenyl]boronic acid
CID 90349193
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid?
The IUPAC name of [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid (CID 163339184) is [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid.
What is the SMILES notation for [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid?
The canonical SMILES for [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid is CS(=O)(=O)Nc1ccc(B(O)O)c(F)c1.
What is the InChIKey of [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid?
The InChIKey is AFQHPMFXNFVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BFNO4S/c1-15(13,14)10-5-2-3-6(8(11)12)7(9)4-5/h2-4,10-12H,1H3.
What are the key properties of [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid?
[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid has a molecular weight of 233.03 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(methanesulfonamido)phenyl]boronic acid is sourced from PubChem (CID 163339184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).