Basic information
- CAS
81865-16-9- Standard SMILES
CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1- InChIKey
TYGVUWILIBPAQQ-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.13002836
Names & identifiers
- Preferred name
- Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl ester
- IUPAC
- ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
Names & synonyms
81865-16-9BRN 5120571Carbamic acid, (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)-, ethyl esterEthyl (4-((hexahydro-1H-azepin-1-yl)sulfonyl)phenyl)carbamateDTXSID30231421RefChem:332075DTXCID30153912ethyl [4-(azepan-1-ylsulfonyl)phenyl]carbamateEthyl (4-(azepan-1-ylsulfonyl)phenyl)carbamateETHYL N-[4-(AZEPANE-1-SULFONYL)PHENYL]CARBAMATEethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamateSTK216523
Show more names
AKOS005418673ethyl [4-(1-azepanylsulfonyl)phenyl]carbamateEthyl [4-(azepane-1-sulfonyl)phenyl]carbamateSR-01000302337SR-01000302337-1
Database identifiers
- CAS
81865-16-9- PubChem CID
- 2986804
- DTXSID
DTXSID30231421
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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