4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

C14H11BrN2O2S — CID 8669480

IUPAC4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H11BrN2O2S/c15-12-7-5-11(6-8-12)9-17-10-16-20(18,19)14-4-2-1-3-13(14)17/h1-8,10H,9H2
InChIKeySOKRLYYZXNXYNU-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.19
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 8669480) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID8669480
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H11BrN2O2S/c15-12-7-5-11(6-8-12)9-17-10-16-20(18,19)14-4-2-1-3-13(14)17/h1-8,10H,9H2
InChIKeySOKRLYYZXNXYNU-UHFFFAOYSA-N
XLogP3.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]benzoate
CID 175523929
4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342794
4-(3-bromo-2-methylpropyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342651
4-[(6-chloro-2-pyridinyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342686
3-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]-5-fluoroaniline
CID 107342585
2-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]pyridin-4-amine
CID 107342821
(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
5-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)pentane-1-thiol
CID 107342912
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342660
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 8669480) is 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(Cc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SOKRLYYZXNXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-12-7-5-11(6-8-12)9-17-10-16-20(18,19)14-4-2-1-3-13(14)17/h1-8,10H,9H2.
What are the key properties of 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 351.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 8669480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).