Sulfamerazine sodium

The Benzenesulfonamide,4-amino-N-(4-methyl-2-pyrimidinyl)-, sodium salt (1:1), with the CAS registry number 127-58-2, is also known as 4-Methyl-2-sulfanilamidopyrimidine sodium salt. Its EINECS number is 204-851-0. This chemical's molecular formula is C₁₁H₁₁N₄NaO₂S and molecular weight is 286.29. What's more, its systematic name is sodium [(4-aminophenyl)sulfonyl](4-methylpyrimidin-2-yl)azanide. Its classification code is Drug / Therapeutic Agent. It is a sulfanilamide that is used as an antibacterial agent.

Physical properties of Benzenesulfonamide,4-amino-N-(4-methyl-2-pyrimidinyl)-, sodium salt (1:1) are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.04; (8)ACD/KOC (pH 7.4): 16.4; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.57 Å²; (13)Flash Point: 267.8 °C; (14)Enthalpy of Vaporization: 79.18 kJ/mol; (15)Boiling Point: 519.1 °C at 760 mmHg; (16)Vapour Pressure: 7.03E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. You should keep the container tightly closed. You must avoid contact with skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)([N-]c1nc(ccn1)C)c2ccc(N)cc2
(2)Std. InChI: InChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
(3)Std. InChIKey: BSFJGCCAXDCMOX-UHFFFAOYSA-N

The toxicity data is as follows: