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1020719-78-1 molecular structure
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4-amino-N-(pyrimidin-2-yl)(2H4)benzene-1-sulfonamide

ChemBase ID: 177969
Molecular Formular: C10H10N4O2S
Molecular Mass: 250.277
Monoisotopic Mass: 250.05244658
SMILES and InChIs

SMILES:
c1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
InChI:
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey:
SEEPANYCNGTZFQ-UHFFFAOYSA-N

Cite this record

CBID:177969 http://www.chembase.cn/molecule-177969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-(pyrimidin-2-yl)(2H4)benzene-1-sulfonamide
IUPAC Traditional name
4-amino-N-(pyrimidin-2-yl)(2H4)benzene-1-sulfonamide
Synonyms
4-Amino-N-2-pyrimidinylbenzenesulfonamide-d4
2-(4-Aminobenzenesulfonamido-d4)pyrimidine
2-Sulfanilylaminopyrimidine-d4
Adiazin-d4
Adiazine-d4
Debenal-d4
Liquadiazine-d4
Microsulfon-d4
Sulfazine-d4
Sulfolex-d4
Sulphadiazine-d4
Theradiazine-d4
Sulfadiazine-d4
CAS Number
1020719-78-1
PubChem SID
164233879
PubChem CID
45040435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC S699051 external link Add to cart
PubChem 45040435 external link
Data Source Data ID Price
TRC
S699051 external link Add to cart Please log in.
Data Source Data ID
PubChem 45040435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9899154  H Acceptors
H Donor LogD (pH = 5.5) 0.3748896 
LogD (pH = 7.4) -0.053857565  Log P 0.3872608 
Molar Refractivity 64.2009 cm3 Polarizability 24.614176 Å3
Polar Surface Area 97.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White to Pale Yellow Solid expand Show data source
Melting Point
255-256°C (dec.) expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Light Sensitive expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - S699051 external link
The isotopically labelled drug Sulfadiazine. Antibacterial.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bohni, et al.: Chemotherapy, 14, 195 (1969)
  • • Carr, et al.: Antimicrob. Agents Chemother., 4, 585 (1969)
  • • Stober, H., et al.: Anal. Profiles Drug Subs., 11, 523 (1969)
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PATENTS

PATENTS

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INTERNET

INTERNET

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