Basic information
- CAS
16851-83-5- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)n1cccc1- InChIKey
ACNNPPGRQRFTSO-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2S
- Average molar mass
- 241.69 g/mol
- Monoisotopic mass
- 240.9964274
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)sulfonyl]-1H-pyrrole
- IUPAC
- 1-(4-chlorophenyl)sulfonylpyrrole
- English name
- 1-[(4-Chlorophenyl)sulfonyl]-1H-pyrrole
- Molecular formula
- C10H8ClNO2S
- Molecular weight
- 241.69
Names & synonyms
1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole16851-83-51-((4-Chlorophenyl)sulfonyl)-1H-pyrroleDTXSID40351664RefChem:222126DTXCID203027301-(4-chlorophenyl)sulfonylpyrrole1-(4-chlorobenzenesulfonyl)-1H-pyrroleMFCD00067753Maybridge1_001769CBMicro_045913HMS546I09
Show more names
BUTTPARK 97\57-35N-(4-CHLOROBENZENESULFONYL)PYRROLE1-[(4-chlorophenyl)sulphonyl]-1H-pyrrole1H-Pyrrole, 1-[(4-chlorophenyl)sulfonyl]-
SBB099496STK4319791-chloro-4-(pyrrolylsulfonyl)benzene4-chloro-1-(pyrrolylsulfonyl)benzeneAKOS000597390CCG-235583NCGC00666207-01MS-22016
Database identifiers
- CAS
16851-83-5- PubChem CID
- 706366
- DTXSID
DTXSID40351664- Nikkaji
- J656.089J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 393.6 · 393.6±44.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -8.94 · -8.94±0.70(Predicted)
Chemistry & industry
Suppliers6 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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