Basic information
- CAS
327083-89-6- Standard SMILES
O=S(=O)(Nc1ncccn1)c1ccc(-n2cnnn2)cc1- InChIKey
WMWGUKFIMRWPTD-UHFFFAOYSA-N- Molecular formula
- C11H9N7O2S
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.05384373
Names & identifiers
- Preferred name
- N-(Pyrimidin-2-yl)-4-(1H-tetrazol-1-yl)benzenesulfonamide
- IUPAC
- N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamide
Names & synonyms
327083-89-6N-(Pyrimidin-2-yl)-4-(1H-tetrazol-1-yl)benzenesulfonamideN-Pyrimidin-2-yl-4-tetrazol-1-yl-benzenesulfonamideOprea1_298766Oprea1_566193MLS000714659N-pyrimidin-2-yl-4-(tetrazol-1-yl)benzenesulfonamideCHEMBL1572274DTXSID301332976HMS2668E10AKOS000573426SB58218
Show more names
SMR000274638ST50253322AG-690/40696617N-pyrimidin-2-yl-4-(1H-tetraazol-1-yl)benzenesulfonamideN-(Pyrimidin-2-yl)-4-(1H-tetrazol-1-yl)benzene-1-sulfonamidepyrimidin-2-yl[(4-(1,2,3,4-tetraazolyl)phenyl)sulfonyl]amine
Database identifiers
- CAS
327083-89-6- PubChem CID
- 856008
- DTXSID
DTXSID301332976- ChEMBL
CHEMBL1572274
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
Solubility39.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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