2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C19H21ClN2O2S — CID 20952594

IUPAC2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESC=Cc1ccc(CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-2-16-8-10-17(11-9-16)14-21-12-5-13-22(25(21,23)24)15-18-6-3-4-7-19(18)20/h2-4,6-11H,1,5,12-15H2
InChIKeyPQOVUZZGYJRBDE-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.94
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 20952594) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID20952594
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESC=Cc1ccc(CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1
InChIInChI=1S/C19H21ClN2O2S/c1-2-16-8-10-17(11-9-16)14-21-12-5-13-22(25(21,23)24)15-18-6-3-4-7-19(18)20/h2-4,6-11H,1,5,12-15H2
InChIKeyPQOVUZZGYJRBDE-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20953900
2-[6-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methoxypropyl)acetamide
CID 20952576
N-(3-acetylphenyl)-2-[6-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952585
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 20921508
2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 46279743
4-methoxy-3-[[6-[(4-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]methyl]benzaldehyde
CID 46341886
N-(2-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46343734
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-(3-chloro-2-methylphenyl)-2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46343845
2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20921387
2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 20921388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 20952594) is 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is C=Cc1ccc(CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is PQOVUZZGYJRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-2-16-8-10-17(11-9-16)14-21-12-5-13-22(25(21,23)24)15-18-6-3-4-7-19(18)20/h2-4,6-11H,1,5,12-15H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 376.91 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-[(4-ethenylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 20952594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).