Basic information
- CAS
10504-97-9- Standard SMILES
O=S(=O)(NCc1ccc(Cl)cc1)c1ccccc1- InChIKey
TXHKSNIAAZGMGJ-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2S
- Average molar mass
- 281.76 g/mol
- Monoisotopic mass
- 281.0277275
Names & identifiers
- Preferred name
- N-(4-Chloro-benzyl)-benzenesulfonamide
- IUPAC
- N-[(4-chlorophenyl)methyl]benzenesulfonamide
- English name
- N-(4-chlorobenzyl)benzenesulfonamide
- Molecular formula
- C13H12ClNO2S
- Molecular weight
- 281.76
Names & synonyms
10504-97-9N-(4-Chloro-benzyl)-benzenesulfonamideDTXSID30351678RefChem:361848DTXCID10302744N-[(4-chlorophenyl)methyl]benzenesulfonamideN-(4-chlorobenzyl)benzenesulfonamideBenzenesulfonamide, N-[(4-chlorophenyl)methyl]-HMS546D03Maybridge1_001653CBMicro_011396Cambridge id 6098868
Show more names
Oprea1_581063SCHEMBL1196183SCHEMBL4662845TXHKSNIAAZGMGJ-UHFFFAOYSA-NKAA50497SMSF0013874STK213500AKOS000431176
Database identifiers
- CAS
10504-97-9- PubChem CID
- 706752
- DTXSID
DTXSID30351678- Nikkaji
- J2.519.979K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 104 · 104.0-104.5 °C
- Boiling point
- 436.6 · 436.6±47.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.40(Predicted)
Chemistry & industry
Suppliers2 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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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