Basic information
- CAS
320-90-1- Standard SMILES
CC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O- InChIKey
RMKBZZLNLVFLRF-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742811
Names & identifiers
- Preferred name
- 1-Methylethyl 4-amino-2-(aminosulfonyl)benzoate
- IUPAC
- propan-2-yl 4-amino-2-sulfamoylbenzoate
- English name
- 4-Amino-2-sulfamoylbenzoic acid isopropyl ester
- Molecular formula
- C10H14N2O4S
- Molecular weight
- 258.29
Names & synonyms
320-90-1Benzoic acid, 4-amino-2-(aminosulfonyl)-, 1-methylethyl esterDTXSID901858301-Methylethyl 4-amino-2-(aminosulfonyl)benzoateRefChem:1055851DTXCID30108321GHH-SC2NSC-114739Isopropyl 4-amino-2-sulfamoylbenzoatepropan-2-yl 4-amino-2-sulfamoylbenzoate4-Amino-2-sulfamoylbenzoic acid isopropyl esterNSC 114739
Show more names
GHH-SC-2
BRN 269924824YK74S4ZUBENZOIC ACID, 4-AMINO-2-SULFAMOYL-, ISOPROPYL ESTERBenzoic acid,4-amino-2-(aminosulfonyl)-, 1-methylethyl esterBenzoic acid, 4-amino-2-(aminosulfonyl)-, 1-methylethyl ester (9CI)NSC114739DS-007180
Database identifiers
- CAS
320-90-1- PubChem CID
- 9446
- DTXSID
DTXSID90185830- UNII
- 24YK74S4ZU
- Nikkaji
- J76.317I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Toxicity
- 300 mg/kg · LDLo intraperitoneal in rat: 300mg/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
- LDLo intraperitoneal in rat: 300mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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