Basic information
- CAS
13399-90-1- Standard SMILES
C=CS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1- InChIKey
VROWPEGBLSFFIQ-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0542766
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
- IUPAC
- 5-(4-chlorophenyl)-2-(4-ethenylsulfonylphenyl)-3,4-dihydropyrazole
- English name
- 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(vinylsulphonyl)phenyl]-1H-pyrazole
- Molecular formula
- C17H15ClN2O2S
- Molecular weight
- 346.8312
Names & synonyms
13399-90-13-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole3-(4-chlorophenyl)-4,5-dihydro-1-[4-(vinylsulphonyl)phenyl]-1H-pyrazoleEINECS 236-486-85-(4-chlorophenyl)-2-(4-ethenylsulfonylphenyl)-3,4-dihydropyrazoleSCHEMBL8981988DTXSID901584433-(4-chlorophenyl)-1-[4-(ethenesulfonyl)phenyl]-4,5-dihydro-1H-pyrazoleNS000243191-(p-vinylsulfonylphenyl)-3-(p-chlorophenyl)-2-pyrazoline5-(4-chlorophenyl)-2-(4-vinylsulfonylphenyl)-3,4-dihydropyrazole3-(4-Chlorophenyl)-1-[4-(ethenylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazole
Show more names
1H-Pyrazole, 3-(4-chlorophenyl)-1-[4-(ethenylsulfonyl)phenyl]-4,5-dihydro-3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1-[4-(VINYLSULFONYL)PHENYL]-1H-PYRAZOLE,3-(4-chloro-phenyl)-1-(4-ethenesulfonyl-phenyl)-4,5-dihydro-
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 554
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
2 records
Compound notes
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