Methyl 1-chloro-3,4-dihydro-I+/--methylene-I(2)-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenepropanoate
Basic information
- CAS
1245647-45-3- Standard SMILES
C=C(C(=O)OC)C(NS(=O)(=O)c1ccc(C)cc1)C1=C(Cl)c2ccccc2CC1- InChIKey
UXTRSSYYYFRFLW-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO4S
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.0958071
Names & identifiers
- Preferred name
- Methyl 1-chloro-3,4-dihydro-I+/--methylene-I(2)-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenepropanoate
- IUPAC
- methyl 2-[(1-chloro-3,4-dihydronaphthalen-2-yl)-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
Names & synonyms
DTXSID0011143591245647-45-3Methyl 1-chloro-3,4-dihydro-I+/--methylene-I(2)-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenepropanoateMethyl 2-{(1-chloro-3,4-dihydronaphthalen-2-yl)[(4-methylbenzene-1-sulfonyl)amino]methyl}prop-2-enoate
Database identifiers
- CAS
1245647-45-3- PubChem CID
- 53486554
- DTXSID
DTXSID001114359
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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