2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C17H18F2N2O2S — CID 46279743

IUPAC2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2cccc(F)c2)CCCN1Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O2S/c18-16-7-3-5-14(11-16)12-20-9-4-10-21(24(20,22)23)13-15-6-1-2-8-17(15)19/h1-3,5-8,11H,4,9-10,12-13H2
InChIKeyKBFLRRBSARTNEG-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 46279743) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID46279743
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2cccc(F)c2)CCCN1Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O2S/c18-16-7-3-5-14(11-16)12-20-9-4-10-21(24(20,22)23)13-15-6-1-2-8-17(15)19/h1-3,5-8,11H,4,9-10,12-13H2
InChIKeyKBFLRRBSARTNEG-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 93060223
N-(2,4-difluorophenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952637
N-(4-chlorophenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030292
2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 46341868
N-(3,5-dimethylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199093
N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20921499
N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030297
N-(3-acetylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199094
2-[(2,5-dimethylphenyl)methyl]-6-[(3-methylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 18592660
N-(2-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46343734
N-(3-chloro-4-methoxyphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952635
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 46279743) is 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(Cc2cccc(F)c2)CCCN1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is KBFLRRBSARTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-16-7-3-5-14(11-16)12-20-9-4-10-21(24(20,22)23)13-15-6-1-2-8-17(15)19/h1-3,5-8,11H,4,9-10,12-13H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 352.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 46279743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).