Basic information
- CAS
2018-25-9- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)NCCOC(=O)CI)cc1- InChIKey
UGPXPLCGCCAFQG-UHFFFAOYSA-N- Molecular formula
- C12H15IN2O5S
- Average molar mass
- 426.23 g/mol
- Monoisotopic mass
- 425.97464
Names & identifiers
- Preferred name
- 2-(N4-Acetylsulfanilamido)ethyl iodoacetate
- IUPAC
- 2-[(4-acetamidophenyl)sulfonylamino]ethyl 2-iodoacetate
Names & synonyms
2-(N4-Acetylsulfanilamido)ethyl iodoacetateUNII-NL03FNT54FNL03FNT54FBRN 2899154ACETIC ACID, IODO-, ESTER with 4'-((2-HYDROXYETHYL)SULFAMOYL)ACETANILIDE2-(N(sup 4)-Acetylsulfanilamido)ethyl iodoacetateIodoacetic acid ester with 4'-((2-hydroxyethyl)sulfamoyl)acetanilideDTXSID20174010ACETANILIDE, 4'-((2-HYDROXYETHYL)SULFAMOYL)-, IODOACETATE (ESTER)ACETIC ACID, 2-IODO-, 2-(((4-(ACETYLAMINO)PHENYL)SULFONYL)AMINO)ETHYL ESTERACETIC ACID, IODO-, 2-(((4-(ACETYLAMINO)PHENYL)SULFONYL)AMINO)ETHYL ESTERRefChem:197635
Show more names
DTXCID10965012018-25-92-(4-Acetamidobenzene-1-sulfonamido)ethyl iodoacetateQ27284925
Database identifiers
- CAS
2018-25-9- PubChem CID
- 16232
- DTXSID
DTXSID20174010- UNII
- NL03FNT54F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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