Basic information
- CAS
3833-55-4- Standard SMILES
O=C(O)COc1cnc(NS(=O)(=O)c2ccccc2)nc1- InChIKey
BTILBKWIQVVJGT-UHFFFAOYSA-N- Molecular formula
- C12H11N3O5S
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.04194163
Names & identifiers
- Preferred name
- Acetic acid, ((2-((phenylsulfonyl)amino)-5-pyrimidinyl)oxy)-(7CI,8CI)
- IUPAC
- 2-[2-(benzenesulfonamido)pyrimidin-5-yl]oxyacetic acid
- English name
- N-(5-Carboxymethoxy-2-pyrimidinyl)benzenesulfonamide
- Molecular formula
- C12H11N3O5S
- Molecular weight
- 309.3
Names & synonyms
2-Benzolsulfonamido-5-(carboxymethoxy)pyrimidine disodium3833-55-4ZK 120935-(Carboxymethoxy)-2-(phenylsulfonylamido)pyrimidine disodiumDTXSID70191696Acetic acid, 2-(2-benzenesulfonamido-5-pyrimidinyloxy)-, disodium saltPyrimidine, 5-(carboxymethoxy)-2-(phenylsulfonylamido)-, disodium saltBenzenesulfonamide, N-(5-carboxymethoxy-2-pyrimidinyl)-, disodium saltRefChem:315901DTXCID10114187Acetic acid, ((2-((phenylsulfonyl)amino)-5-pyrimidinyl)oxy)-(7CI,8CI)Acetic acid, ((2-((phenylsulfonyl)amino)-5-pyrimidinyl)oxy)- (7CI,8CI)
Show more names
N-(5-Carboxymethoxy-2-pyrimidinyl)benzenesulfonamideAcetic acid, 2-[[2-[(phenylsulfonyl)amino]-5-pyrimidinyl]oxy]-
2-Benzolsulfonylamino-5(carboxy-methoxy)-pyrimidin{[2-(Benzenesulfonamido)pyrimidin-5-yl]oxy}acetic acidAcetic acid, ((2-((phenylsulfonyl)amino)-5-pyrimidinyl)oxy)-
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Toxicity
- 50 intravenous · LD50 intravenous in rat: 4900mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in rat: 4900mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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