Boronic acid,b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]-

CAS

913835-96-8

Catalog Number

ACM913835968

Category

Other Products

Molecular Weight

363.23628

Molecular Formula

C₁₇H₂₂BNO₅S

MSDS COA Spec Sheet

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Specification

Synonyms

913835-96-8, 4-(N-Isopropyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid, 4-[N-Isopropyl-N-(4-methoxybenzyl)sulphamoyl]benzeneboronic acid, ACMC-209rah, CTK5G9465, MolPort-001-768-304, ANW-39639, OR3431, AKOS015838379, AG-H-74967, AK-95239, KB-35108, FT-0687811, B-4463, I01-11338, (4-(N-Isopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid, 4-(N-Isopropyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid,, 4-{isopropyl[(4-methoxyphenyl)methyl]sulfamoyl}phenylboronic acid

IUPAC Name

[4-[(4-methoxyphenyl)methyl-propan-2-ylsulfamoyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OC)C(C)C)(O)O

InChI Key

YCTUMPATZIWTLB-UHFFFAOYSA-N

Boiling Point

554.8ºC at 760 mmHg

Melting Point

114-116ºC

Flash Point

289.3ºC

Density

1.29g/cm³

Exact Mass

363.13100

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The molecular formula is C17H22BNO5S.

When was Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl] first created and modified?

It was created on 2009-07-21 and last modified on 2023-12-30.

What is the IUPAC name of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The IUPAC name is [4-[(4-methoxyphenyl)methyl-propan-2-ylsulfamoyl]phenyl]boronic acid.

What is the InChI of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The InChI is InChI=1S/C17H22BNO5S/c1-13(2)19(12-14-4-8-16(24-3)9-5-14)25(22,23)17-10-6-15(7-11-17)18(20)21/h4-11,13,20-21H,12H2,1-3H3.

What is the InChIKey of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The InChIKey is YCTUMPATZIWTLB-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

There are 2 hydrogen bond donor counts.

What is the exact mass of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The exact mass is 363.1311741 g/mol.

How many rotatable bond counts are there in Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

There are 7 rotatable bond counts.

What is the topological polar surface area of Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]?

The topological polar surface area is 95.4 Å².

Is Boronic acid, b-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl] a canonicalized compound?

Yes, it is a canonicalized compound.