6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C14H9Cl2FN2O3S — CID 68663073

IUPAC6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O3S/c15-9-5-10(16)13-12(6-9)18-14(20)19(23(13,21)22)7-8-3-1-2-4-11(8)17/h1-6H,7H2,(H,18,20)
InChIKeyURPWHRJTGPUOIU-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.87
Rot. Bonds2

About 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 68663073) has the molecular formula C14H9Cl2FN2O3S and a molecular weight of 375.21 g/mol. Its IUPAC name is 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID68663073
Molecular FormulaC14H9Cl2FN2O3S
Molecular Weight375.21 g/mol
Exact Mass373.97
IUPAC Name6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O3S/c15-9-5-10(16)13-12(6-9)18-14(20)19(23(13,21)22)7-8-3-1-2-4-11(8)17/h1-6H,7H2,(H,18,20)
InChIKeyURPWHRJTGPUOIU-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 68663073) is 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is O=C1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccccc1F.
What is the InChIKey of 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is URPWHRJTGPUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O3S/c15-9-5-10(16)13-12(6-9)18-14(20)19(23(13,21)22)7-8-3-1-2-4-11(8)17/h1-6H,7H2,(H,18,20).
What are the key properties of 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 375.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[(2-fluorophenyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 68663073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).