Name: Name:2-chloro-5-methanesulfonylaniline
Brand: Angene
SKU: AG019M7L
Rating: 90 (10 reviews)

2-chloro-5-methanesulfonylaniline

CAS No.:

16328-56-6

Catalog Number:

AG019M7L

Molecular Formula:

C7H8ClNO2S

Molecular Weight:

205.6619

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Product Description

Catalog Number:

AG019M7L

Chemical Name:

2-chloro-5-methanesulfonylaniline

CAS Number:

16328-56-6

Molecular Formula:

C7H8ClNO2S

Molecular Weight:

205.6619

MDL Number:

MFCD00087724

IUPAC Name:

2-chloro-5-methylsulfonylaniline

InChI:

InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

InChI Key:

JZYXWKXXTIMVOA-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1N)S(=O)(=O)C

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.656g/mol

Monoisotopic Mass:

204.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

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