Basic information
- CAS
7454-72-0- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1- InChIKey
RQCJPHFHAJZWBS-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO3S
- Average molar mass
- 342.21 g/mol
- Monoisotopic mass
- 340.97213
Names & identifiers
- Preferred name
- 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide
- IUPAC
- 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
- English name
- 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
- Molecular formula
- C13H12BrNO3S
- Molecular weight
- 342.21
Names & synonyms
4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide7454-72-0p-Benzenesulfonanisidide, 4-bromo-DTXSID90225543RefChem:1070420DTXCID20148034MFCD000450224-bromo-N-(4-methoxyphenyl)benzene-1-sulfonamideZINC362978BRN 27490704-Bromo-p-benzenesulfonanisidideBenzenesulfonamide, 4-bromo-N-(4-methoxyphenyl)-
Show more names
3-13-00-01168 (Beilstein Handbook Reference)SCHEMBL8752410(4-Bromobenzenesulfon)-p-anisideRQCJPHFHAJZWBS-UHFFFAOYSA-N4BROMOPBENZENESULFONANISIDIDEPBENZENESULFONANISIDIDE4BROMO(4BROMOBENZENESULFON)PANISIDESTK012875
Database identifiers
- CAS
7454-72-0- PubChem CID
- 202089
- DTXSID
DTXSID90225543- Nikkaji
- J1.425.930I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 454.6 · 454.6±55.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.10(Predicted)
Chemistry & industry
Suppliers10 total
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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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