Basic information
- CAS
3665-12-1- Standard SMILES
O=S(=O)(Nc1cccnc1)c1ccc(Br)cc1- InChIKey
CJFQZXSNXVPFPH-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O2S
- Average molar mass
- 313.17 g/mol
- Monoisotopic mass
- 311.95681
Names & identifiers
- Preferred name
- Benzenesulfonamide, p-bromo-N-(3-pyridyl)-
- IUPAC
- 4-bromo-N-pyridin-3-ylbenzenesulfonamide
- English name
- p-Bromo-N-(3-pyridyl)benzenesulfonamide
- Molecular formula
- C11H9BrN2O2S
- Molecular weight
- 313.17
Names & synonyms
3665-12-1Benzenesulfonamide, p-bromo-N-(3-pyridyl)-p-Bromo-N-(3-pyridyl)benzenesulfonamideBRN 0408670DTXSID401901115-22-09-00084 (Beilstein Handbook Reference)RefChem:325495DTXCID501126024-bromo-N-(pyridin-3-yl)benzenesulfonamideMFCD012151114-bromo-N-(pyridin-3-yl)benzene-1-sulfonamide4-bromo-N-pyridin-3-ylbenzenesulfonamide
Show more names
p-bromo-N-3-pyridyl- (7CI,8CI)BenzenesulfonamideBenzenesulfonamide, p-bromo-N-3-pyridyl- (7CI,8CI)
4-bromo-N-(3-pyridinyl)benzenesulfonamideZINC298754-Bromo-N-(3-pyridyl)benzenesulfonamide[(4-bromophenyl)sulfonyl]-3-pyridylaminePBROMONBENZENESULFONAMIDESTK002351ZINC00029875Brc1ccc(cc1)S(=O)(=O)Nc1cccnc1
Database identifiers
- CAS
3665-12-1- PubChem CID
- 199072
- DTXSID
DTXSID40190111- Nikkaji
- J41.385B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 187 · 187-188 °C
- Boiling point
- 445.7 · 445.7±51.0 °C(Predicted)
- Density
- 1.666 · 1.666±0.06 g/cm3(Predicted)
- pka
- 6.79 · 6.79±0.40(Predicted)
- CAS DataBase Reference
- 3665 · 3665-12-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Toxicity
- 50 · mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Related reactions
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Compound notes
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