2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C17H17ClF2N2O2S — CID 7245511

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2F)CCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClF2N2O2S/c18-15-6-3-8-17(20)14(15)12-22-10-4-9-21(25(22,23)24)11-13-5-1-2-7-16(13)19/h1-3,5-8H,4,9-12H2
InChIKeyVCIZRJFJXVODLK-UHFFFAOYSA-N
MW386.85 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 7245511) has the molecular formula C17H17ClF2N2O2S and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID7245511
Molecular FormulaC17H17ClF2N2O2S
Molecular Weight386.85 g/mol
Exact Mass386.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2F)CCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClF2N2O2S/c18-15-6-3-8-17(20)14(15)12-22-10-4-9-21(25(22,23)24)11-13-5-1-2-7-16(13)19/h1-3,5-8H,4,9-12H2
InChIKeyVCIZRJFJXVODLK-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide with MolForge

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Related Compounds

1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-(2-chlorobenzyl)piperazine
CID 764825
2-(2-Chloro-4-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921552
2-(4-Chlorobenzyl)-6-(2-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921560
1,4-Bis-(2-chlorobenzyl) piperazine
CID 17267323
1-(Benzylsulfonyl)-4-(2-chloro-4-fluorobenzyl)piperazine
CID 6465133
2-Benzyl-6-[(3-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 16027521
Cambridge id 5429188
CID 783350
1-Benzylsulfonyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 9443410
2,6-Bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 15988210
2-Benzyl-6-[(2-chloro-4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 16022930
2-(2-Chlorobenzyl)-6-(4-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 7245511) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(Cc2ccccc2F)CCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is VCIZRJFJXVODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O2S/c18-15-6-3-8-17(20)14(15)12-22-10-4-9-21(25(22,23)24)11-13-5-1-2-7-16(13)19/h1-3,5-8H,4,9-12H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 386.85 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(2-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 7245511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).