Basic information
- CAS
3559-04-4- Standard SMILES
O=C(NS(=O)(=O)c1ccccc1)c1ccccc1- InChIKey
ZBGWAJQUDSCDPB-UHFFFAOYSA-N- Molecular formula
- C13H11NO3S
- Average molar mass
- 261.3 g/mol
- Monoisotopic mass
- 261.04596439
Overview
structure in first source
Names & identifiers
- Preferred name
- N-(phenylsulfonyl)benzamide
- IUPAC
- N-(benzenesulfonyl)benzamide
- English name
- Benzamide,N-(phenylsulfonyl)-
- Molecular formula
- C13H11NO3S
- Molecular weight
- 261.3
Names & synonyms
N-(phenylsulfonyl)benzamideRefChem:926973N-(benzenesulfonyl)benzamide3559-04-4n-benzoylbenzenesulfonamideCHEMBL241149N-Benzoyl-benzenesulfonamideNSC23395N-phenylsulfonyl benzamideOprea1_040067Oprea1_327131MLS000523362
Show more names
Benzamide,N-(phenylsulfonyl)-
SCHEMBL174010IFLab1_000581SCHEMBL5304383SCHEMBL5309101SCHEMBL7291774SCHEMBL18662771DTXSID00956972HMS1413K09
Database identifiers
- CAS
3559-04-4- PubChem CID
- 229604
- DTXSID
DTXSID00956972- ChEMBL
CHEMBL241149- Nikkaji
- J454.957K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 146 · 146-147 °C(Solv: ethanol (64-17-5))
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 4.92 · 4.92±0.10(Predicted)
Chemistry & industry
Suppliers5 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…