Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl-

CAS

94136-00-2

Catalog Number

ACM94136002

Category

Other Products

Molecular Weight

392.42774

Molecular Formula

C₂₁H₁₆N₂O₄S

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 302-972-4, MolPort-004-857-077, ZINC32606112, CID3023741, 4-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-N-phenylbenzenesulphonamide, 94136-00-2

IUPAC Name

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzenesulfonamide

Canonical SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI Key

SMUPUARPBURVSD-UHFFFAOYSA-N

Boiling Point

592.5ºC at 760mmHg

Flash Point

312.1ºC

Density

1.453g/cm³

EC Number

302-972-4

Exact Mass

392.08300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

The molecular formula is C21H16N2O4S.

When was Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl created and modified?

It was created on 2005-08-08 and modified on 2023-12-30.

What is the molecular weight of Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

The molecular weight is 392.4 g/mol.

What is the InChI for Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

The InChI is InChI=1S/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)14-15-10-12-17(13-11-15)28(26,27)22-16-6-2-1-3-7-16/h1-13,22H,14H2.

What are the synonyms of Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

Some synonyms include 94136-00-2, 4-((1,3-Dioxoisoindolin-2-yl)methyl)-N-phenylbenzenesulfonamide, and DTXSID60916310.

How many hydrogen bond donor counts does Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl have?

It has 1 hydrogen bond donor count.

What is the Canonical SMILES for Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

The Canonical SMILES is C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O.

What is the XLogP3-AA value for Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl?

The XLogP3-AA value is 2.9.

How many heavy atoms does Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl have?

It has 28 heavy atoms.

Is Benzenesulfonamide,4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenyl a canonicalized compound?

Yes, it is a canonicalized compound.