1-Pyrrolidinecarbothioic acid, S-[2-[(phenylsulfonyl)amino]phenyl] ester

HCID 12299529

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 61381-63-3
Standard SMILES: O=C(Sc1ccccc1NS(=O)(=O)c1ccccc1)N1CCCC1
InChIKey: DRNYHSDNTGITIK-UHFFFAOYSA-N
Molecular formula: C17H18N2O3S2
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.07588479

Names & identifiers

Preferred name: 1-Pyrrolidinecarbothioic acid, S-[2-[(phenylsulfonyl)amino]phenyl] ester
IUPAC: S-[2-(benzenesulfonamido)phenyl] pyrrolidine-1-carbothioate

Names & synonyms

61381-63-31-Pyrrolidinecarbothioic acid, S-[2-[(phenylsulfonyl)amino]phenyl] esterDTXSID60486240S-[2-(benzenesulfonamido)phenyl] pyrrolidine-1-carbothioate

Database identifiers

CAS: 61381-63-3
PubChem CID: 12299529
DTXSID: DTXSID60486240

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 520

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…