Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate
Basic information
- CAS
100796-84-7- Standard SMILES
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1- InChIKey
KCGRRSBXPMGGCE-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.07357611
Names & identifiers
- Preferred name
- Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate
- IUPAC
- ethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
- English name
- ethyl (4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamate
- Molecular formula
- C13H14N4O4S
- Molecular weight
- 322.34
Names & synonyms
ETHYL 4-((2-PYRIMIDINYLAMINO)SULFONYL)PHENYLCARBAMATE100796-84-7CBMicro_045917Cambridge id 6138800Oprea1_867429Oprea1_870296STL332327AKOS002262496BIM-0045977.P001ST50186092SR-01000453204ethyl [4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
Show more names
Carbanilic acid, p-(2-pyrimidinylsulfamoyl)-, ethyl ester (6CI)
SR-01000453204-1ethyl (4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamateethoxy-N-{4-[(pyrimidin-2-ylamino)sulfonyl]phenyl}carboxamide
Database identifiers
- CAS
100796-84-7- PubChem CID
- 710761
- EC Number
- 144-572-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 258 · 258-260 °C
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 6.25 · 6.25±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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