2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C17H18Cl2N2O2S — CID 15988210

IUPAC2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2Cl)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-16-8-3-1-6-14(16)12-20-10-5-11-21(24(20,22)23)13-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13H2
InChIKeyNVFHDVRAWZCFNR-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.95
Rot. Bonds4

About 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 15988210) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID15988210
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(Cc2ccccc2Cl)CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-16-8-3-1-6-14(16)12-20-10-5-11-21(24(20,22)23)13-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13H2
InChIKeyNVFHDVRAWZCFNR-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 15988210) is 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(Cc2ccccc2Cl)CCCN1Cc1ccccc1Cl.
What is the InChIKey of 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is NVFHDVRAWZCFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-16-8-3-1-6-14(16)12-20-10-5-11-21(24(20,22)23)13-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13H2.
What are the key properties of 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 385.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 15988210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).