Name: Name:2-bromo-5-[(carbamoylmethyl)sulfamoyl]benzoic acid
Brand: Angene
SKU: AG00IDGD
Rating: 90 (10 reviews)

2-bromo-5-[(carbamoylmethyl)sulfamoyl]benzoic acid

CAS No.:

848290-15-3

Catalog Number:

AG00IDGD

Molecular Formula:

C9H9BrN2O5S

Molecular Weight:

337.1472

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Product Description

Catalog Number:

AG00IDGD

Chemical Name:

2-bromo-5-[(carbamoylmethyl)sulfamoyl]benzoic acid

CAS Number:

848290-15-3

Molecular Formula:

C9H9BrN2O5S

Molecular Weight:

337.1472

MDL Number:

MFCD07323493

IUPAC Name:

5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromobenzoic acid

InChI:

InChI=1S/C9H9BrN2O5S/c10-7-2-1-5(3-6(7)9(14)15)18(16,17)12-4-8(11)13/h1-3,12H,4H2,(H2,11,13)(H,14,15)

InChI Key:

KXIGBOLOYTWFGK-UHFFFAOYSA-N

SMILES:

NC(=O)CNS(=O)(=O)c1ccc(c(c1)C(=O)O)Br

Properties

Complexity:

433

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.144g/mol

Monoisotopic Mass:

335.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

135A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

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