1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide

C19H20ClF2N3O2S — CID 24734886

IUPAC1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
SMILESO=S1(=O)NC2(CCN(CCc3ccc(Cl)cc3)CC2)Nc2cc(F)cc(F)c21
InChIInChI=1S/C19H20ClF2N3O2S/c20-14-3-1-13(2-4-14)5-8-25-9-6-19(7-10-25)23-17-12-15(21)11-16(22)18(17)28(26,27)24-19/h1-4,11-12,23-24H,5-10H2
InChIKeyDLHHHBONHYKLOR-UHFFFAOYSA-N
MW427.90 g/mol
LogP3.36
Rot. Bonds3

About 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide

1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide (PubChem CID 24734886) has the molecular formula C19H20ClF2N3O2S and a molecular weight of 427.90 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide.

Molecular Properties

Compound Name1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
PubChem CID24734886
Molecular FormulaC19H20ClF2N3O2S
Molecular Weight427.90 g/mol
Exact Mass427.09
IUPAC Name1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
SMILESO=S1(=O)NC2(CCN(CCc3ccc(Cl)cc3)CC2)Nc2cc(F)cc(F)c21
InChIInChI=1S/C19H20ClF2N3O2S/c20-14-3-1-13(2-4-14)5-8-25-9-6-19(7-10-25)23-17-12-15(21)11-16(22)18(17)28(26,27)24-19/h1-4,11-12,23-24H,5-10H2
InChIKeyDLHHHBONHYKLOR-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide with MolForge

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588727
4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
CID 10991347
4-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588722
4-(2-chloro-6-fluorobenzyl)-2-(4-fluorophenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 18592048
2-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588732
2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 4255505
2-benzyl-3-(3,4-dichlorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 4398326
3-(2-chlorophenyl)-2-(3-methylbenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 44117347
4-(2-chlorobenzyl)-2-(2,5-difluorophenyl)-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 16876020
3-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 18560268
4-(3-chlorobenzyl)-2-(4-fluorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 18591126
4-(2-chloro-4-fluorobenzyl)-2-(4-fluorophenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 18592054

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The IUPAC name of 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide (CID 24734886) is 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide.
What is the SMILES notation for 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The canonical SMILES for 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide is O=S1(=O)NC2(CCN(CCc3ccc(Cl)cc3)CC2)Nc2cc(F)cc(F)c21.
What is the InChIKey of 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
The InChIKey is DLHHHBONHYKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O2S/c20-14-3-1-13(2-4-14)5-8-25-9-6-19(7-10-25)23-17-12-15(21)11-16(22)18(17)28(26,27)24-19/h1-4,11-12,23-24H,5-10H2.
What are the key properties of 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide?
1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide has a molecular weight of 427.90 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide is sourced from PubChem (CID 24734886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).