3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H13ClN2O3S — CID 132590880

IUPAC3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCOc1ccc(C2=NS(=O)(=O)c3ccccc3N2)cc1Cl
InChIInChI=1S/C15H13ClN2O3S/c1-2-21-13-8-7-10(9-11(13)16)15-17-12-5-3-4-6-14(12)22(19,20)18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyFBEAYNMKAUERFQ-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.30
Rot. Bonds3

About 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 132590880) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID132590880
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCOc1ccc(C2=NS(=O)(=O)c3ccccc3N2)cc1Cl
InChIInChI=1S/C15H13ClN2O3S/c1-2-21-13-8-7-10(9-11(13)16)15-17-12-5-3-4-6-14(12)22(19,20)18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyFBEAYNMKAUERFQ-UHFFFAOYSA-N
XLogP3.30
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132591484
3-(2,4-dichlorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132590876
3-(1-benzylpyrazol-4-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92575020
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
3-(2,5-difluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 177307914
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021
3-(2-chloroethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 3532338
6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4165474

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 132590880) is 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCOc1ccc(C2=NS(=O)(=O)c3ccccc3N2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is FBEAYNMKAUERFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-2-21-13-8-7-10(9-11(13)16)15-17-12-5-3-4-6-14(12)22(19,20)18-15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 336.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 132590880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).