2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C18H20ClFN2O2S — CID 20921546

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3c(F)cccc3Cl)S2(=O)=O)cc1
InChIInChI=1S/C18H20ClFN2O2S/c1-14-6-8-15(9-7-14)12-21-10-3-11-22(25(21,23)24)13-16-17(19)4-2-5-18(16)20/h2,4-9H,3,10-13H2,1H3
InChIKeyMRAJSAHEFAGTJX-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.74
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20921546) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20921546
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCCN(Cc3c(F)cccc3Cl)S2(=O)=O)cc1
InChIInChI=1S/C18H20ClFN2O2S/c1-14-6-8-15(9-7-14)12-21-10-3-11-22(25(21,23)24)13-16-17(19)4-2-5-18(16)20/h2,4-9H,3,10-13H2,1H3
InChIKeyMRAJSAHEFAGTJX-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Bis(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921547
2-(2-Chloro-6-fluorobenzyl)-6-(2-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 7245511
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-(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
2-(4-Chlorobenzyl)-6-(3-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20921546) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is Cc1ccc(CN2CCCN(Cc3c(F)cccc3Cl)S2(=O)=O)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is MRAJSAHEFAGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c1-14-6-8-15(9-7-14)12-21-10-3-11-22(25(21,23)24)13-16-17(19)4-2-5-18(16)20/h2,4-9H,3,10-13H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-chloro-6-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 382.89 g/mol, XLogP of 3.74, 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-[(4-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20921546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).