7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H10BrFN2O2S — CID 45103610

IUPAC7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(Br)cc21
InChIInChI=1S/C9H10BrFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
InChIKeyHHMXIKIEUUNDFQ-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.47
Rot. Bonds2

About 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103610) has the molecular formula C9H10BrFN2O2S and a molecular weight of 309.16 g/mol. Its IUPAC name is 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103610
Molecular FormulaC9H10BrFN2O2S
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(Br)cc21
InChIInChI=1S/C9H10BrFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
InChIKeyHHMXIKIEUUNDFQ-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103610) is 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(CCF)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is HHMXIKIEUUNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2.
What are the key properties of 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 309.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).