Home > Compound List > Compound details
547-32-0 molecular structure
click picture or here to close

4-amino-N-(pyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide

ChemBase ID: 130725
Molecular Formular: C10H9N4NaO2S
Molecular Mass: 272.25883
Monoisotopic Mass: 272.03439083
SMILES and InChIs

SMILES:
c1cnc(nc1)N([Na])S(=O)(=O)c1ccc(cc1)N
Canonical SMILES:
[Na]N(S(=O)(=O)c1ccc(cc1)N)c1ncccn1
InChI:
InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
InChIKey:
JLDCNMJPBBKAHH-UHFFFAOYSA-N

Cite this record

CBID:130725 http://www.chembase.cn/molecule-130725.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-(pyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide
IUPAC Traditional name
4-amino-N-(pyrimidin-2-yl)-N-sodiobenzenesulfonamide
Synonyms
Sulfadiazine sodium salt
4-Amino-N-(2-pyrimidinyl)benzenesulfonamide sodium salt
SPS Agar Supplement
4-氨基-N-(2-嘧啶基)苯磺酰胺 钠盐
SPS 琼脂添加剂
磺胺嘧啶 钠盐
CAS Number
547-32-0
EC Number
208-919-0
MDL Number
MFCD00067333
Beilstein Number
4068213
PubChem SID
24880417
162225003
24899698
PubChem CID
15899898

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15899898 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.80224466  LogD (pH = 7.4) -0.80210185 
Log P -0.8021  Molar Refractivity 63.4009 cm3
Polarizability 26.252115 Å3 Polar Surface Area 89.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
WP2000000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38-42/43 expand Show data source
Safety Statements
22-26-36/37-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H319-H334-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P342 + P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥98% expand Show data source
≥98.0% (TLC) expand Show data source
Empirical Formula (Hill Notation)
C10H9N4NaO2S expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle