Basic information
- CAS
1192749-74-8- Standard SMILES
O=S(=O)(c1ccccc1)N(c1cncc(Br)c1)S(=O)(=O)c1ccccc1- InChIKey
HIFQSGLCAZLODB-UHFFFAOYSA-N- Molecular formula
- C17H13BrN2O4S2
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 451.95001
Names & identifiers
- Preferred name
- N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide
- IUPAC
- N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide
- English name
- N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide
- Molecular formula
- C17H13BrN2O4S2
- Molecular weight
- 453.33
Names & synonyms
N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide1192749-74-8N-(Benzenesulfonyl)-N-(5-bromopyridin-3-yl)benzenesulfonamideDTXSID60745309DB-061546N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide, 1192749-74-8, AKOS016015060, RL00745, AK-56816, KB-56054N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide;N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamideBenzenesulfonamide, N-(5-bromo-3-pyridinyl)-N-(phenylsulfonyl)-
Database identifiers
- CAS
1192749-74-8- PubChem CID
- 71304516
- DTXSID
DTXSID60745309
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 608.3 · 608.3±65.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.31 · -3.31±0.20(Predicted)
Chemistry & industry
Suppliers4 total
郑州药领医药科技有限公司13526569071 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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