3-(Methylsulfonylamino)phenylboronic acid

• CAS: 148355-75-3
• Catalog Number: ACM148355753
• Category: Boro-Amino Acids
• Molecular Weight: 215.03
• Molecular Formula: C₇H₁₀BNO₄S
• Synonyms: BM151, 3-Methanesulfonylaminophenylboronic acid, N-3-Methanesulfonamidephenylboronic Acid, TL8007168, 148355-75-3
• IUPAC Name: [3-(methanesulfonamido)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O
• InChI Key: XUIQQIRLFMCWLN-UHFFFAOYSA-N
• Boiling Point: 433.7ºC at 760mmHg
• Melting Point: 90-96ºC
• Flash Point: 216.1ºC
• Density: 1.42g/cm³
• Exact Mass: 215.04200
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Safety Description: S26-S36-S37-S39

Custom Q&A

What is the molecular formula of 3-(Methylsulfonylamino)phenylboronic acid?

The molecular formula is C7H10BNO4S.

What is the molecular weight of 3-(Methylsulfonylamino)phenylboronic acid?

The molecular weight is 215.04 g/mol.

What are some synonyms for 3-(Methylsulfonylamino)phenylboronic acid?

Some synonyms include 3-Methylsulfonylaminophenylboronic acid and [3-(methanesulfonamido)phenyl]boronic acid.

What is the IUPAC name of 3-(Methylsulfonylamino)phenylboronic acid?

The IUPAC name is [3-(methanesulfonamido)phenyl]boronic acid.

What is the structure of 3-(Methylsulfonylamino)phenylboronic acid represented by canonical SMILES?

The structure is B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O.

What is the InChIKey of 3-(Methylsulfonylamino)phenylboronic acid?

The InChIKey is XUIQQIRLFMCWLN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-(Methylsulfonylamino)phenylboronic acid have?

It has 3 hydrogen bond donor counts.

What is the topological polar surface area of 3-(Methylsulfonylamino)phenylboronic acid?

The topological polar surface area is 95Ų.

Is 3-(Methylsulfonylamino)phenylboronic acid considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.

What is the complexity value of 3-(Methylsulfonylamino)phenylboronic acid?

The complexity value is 274.

Synthetic Use

Downstream Synthesis Route 1

• 867330-26-5
• 148355-75-3

• 867331-23-5

Reference: [1]Current Patent Assignee: SANOFI - US2005/245524, 2005, A1 Location in patent: Page/Page column 52

* For details of the synthesis route, please refer to the original source to ensure accuracy.