4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H10BrFN2O2S — CID 107342794

IUPAC4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C14H10BrFN2O2S/c15-14-10(4-3-5-11(14)16)8-18-9-17-21(19,20)13-7-2-1-6-12(13)18/h1-7,9H,8H2
InChIKeyOWZXGICYODUKMV-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.33
Rot. Bonds2

About 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 107342794) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID107342794
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C14H10BrFN2O2S/c15-14-10(4-3-5-11(14)16)8-18-9-17-21(19,20)13-7-2-1-6-12(13)18/h1-7,9H,8H2
InChIKeyOWZXGICYODUKMV-UHFFFAOYSA-N
XLogP3.33
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 8669480
3-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]-5-fluoroaniline
CID 107342585
4-[(6-chloro-2-pyridinyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342686
4-(3-bromo-2-methylpropyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342651
4-(2-phenoxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 46369319
5-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]furan-3-carboxylic acid
CID 107342607
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-methylbut-2-enoic acid
CID 107342640
[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]thiadiazol-5-yl]hydrazine
CID 107342830
1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009936
4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2,2-dimethylbutan-1-amine
CID 107342599
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342660
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-ethylbut-2-enoic acid
CID 107342621

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 107342794) is 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(Cc2cccc(F)c2Br)c2ccccc21.
What is the InChIKey of 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is OWZXGICYODUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c15-14-10(4-3-5-11(14)16)8-18-9-17-21(19,20)13-7-2-1-6-12(13)18/h1-7,9H,8H2.
What are the key properties of 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 369.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 107342794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).