Name: Name:2-[(Morpholine-4-sulfonyl)methyl]benzonitrile
Brand: Angene
SKU: AG00IEFI
Rating: 90 (10 reviews)

2-[(Morpholine-4-sulfonyl)methyl]benzonitrile

CAS No.:

872108-14-0

Catalog Number:

AG00IEFI

Molecular Formula:

C12H14N2O3S

Molecular Weight:

266.3162

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

In Stock USA

United States

$350

- +

98%

In Stock USA

United States

$1150

- +

Product Description

Catalog Number:

AG00IEFI

Chemical Name:

2-[(Morpholine-4-sulfonyl)methyl]benzonitrile

CAS Number:

872108-14-0

Molecular Formula:

C12H14N2O3S

Molecular Weight:

266.3162

MDL Number:

MFCD07686081

IUPAC Name:

2-(morpholin-4-ylsulfonylmethyl)benzonitrile

InChI:

InChI=1S/C12H14N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-8,10H2

InChI Key:

VSAFVUSNAFIZRU-UHFFFAOYSA-N

SMILES:

N#Cc1ccccc1CS(=O)(=O)N1CCOCC1

Properties

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.315g/mol

Monoisotopic Mass:

266.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101