4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H14N2O3S — CID 46369319

IUPAC4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCOc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O3S/c18-21(19)15-9-5-4-8-14(15)17(12-16-21)10-11-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBSYZAWFAABCNBJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 46369319) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID46369319
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCOc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2O3S/c18-21(19)15-9-5-4-8-14(15)17(12-16-21)10-11-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBSYZAWFAABCNBJ-UHFFFAOYSA-N
XLogP2.30
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2,2-dimethylbutan-1-amine
CID 107342599
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-methylbut-2-enoic acid
CID 107342640
4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 8669480
5-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]furan-3-carboxylic acid
CID 107342607
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 107342744
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342660
4-butyl-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 22588801
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
2-phenoxyethylmercury
CID 163598363
2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
CID 6493745
3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one
CID 18884383
4-(2-fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
CID 3849116

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 46369319) is 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(CCOc2ccccc2)c2ccccc21.
What is the InChIKey of 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is BSYZAWFAABCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-21(19)15-9-5-4-8-14(15)17(12-16-21)10-11-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 302.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 46369319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).