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

C14H11FN2O2S — CID 53009774

IUPAC4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H11FN2O2S/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
InChIKeyYETCYNPTYWNVON-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.56
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53009774) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53009774
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H11FN2O2S/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
InChIKeyYETCYNPTYWNVON-UHFFFAOYSA-N
XLogP2.56
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53009774) is 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is YETCYNPTYWNVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/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-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 290.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53009774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).