CAS 1981-58-4 | Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-, sodium salt (1:1) | CAS Number 1981-58-4

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1981-58-4 | Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-, sodium salt (1:1)

CAS No: 1981-58-4 Catalog No: AG002BAG MDL No:MFCD00068333

Product Description

Catalog Number:

AG002BAG

Chemical Name:

Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-, sodium salt (1:1)

CAS Number:

1981-58-4

Molecular Formula:

C12H14N4NaO2S

Molecular Weight:

301.3199

MDL Number:

MFCD00068333

IUPAC Name:

sodium;(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

InChI:

InChI=1S/C12H13N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1

InChI Key:

NGIVTUVVBWOTNT-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C.[Na]

EC Number:

217-840-0

UNII:

7Z13P9Q95C

Properties

Complexity:

383

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.312g/mol

Monoisotopic Mass:

300.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501