Ethyl 4-(chlorosulfonyl)-2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate
Basic information
- CAS
306936-29-8- Standard SMILES
CCOC(=O)c1c(S(=O)(=O)Cl)c(-c2ccccc2)n(-c2ccccc2)c1C- InChIKey
BGXKUQAVHZRWHU-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO4S
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.0645069
Names & identifiers
- Preferred name
- Ethyl 4-(chlorosulfonyl)-2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylate
- English name
- ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE
- Molecular formula
- C20H18ClNO4S
- Molecular weight
- 403.88
Names & synonyms
306936-29-8ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATEethyl 4-chlorosulfonyl-2-methyl-1,5-diphenylpyrrole-3-carboxylateDTXSID703713351H-Pyrrole-3-carboxylic acid, 4-(chlorosulfonyl)-2-methyl-1,5-diphenyl-, ethyl ester
Database identifiers
- CAS
306936-29-8- PubChem CID
- 2736398
- DTXSID
DTXSID70371335
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
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Compound notes
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