6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H8ClFN2O2S — CID 86061705

IUPAC6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCF)c2cc(Cl)ccc21
InChIInChI=1S/C9H8ClFN2O2S/c10-7-1-2-9-8(5-7)13(4-3-11)6-12-16(9,14)15/h1-2,5-6H,3-4H2
InChIKeyPSMIHERUCZHYID-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.85
Rot. Bonds2

About 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 86061705) has the molecular formula C9H8ClFN2O2S and a molecular weight of 262.69 g/mol. Its IUPAC name is 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID86061705
Molecular FormulaC9H8ClFN2O2S
Molecular Weight262.69 g/mol
Exact Mass262.00
IUPAC Name6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCF)c2cc(Cl)ccc21
InChIInChI=1S/C9H8ClFN2O2S/c10-7-1-2-9-8(5-7)13(4-3-11)6-12-16(9,14)15/h1-2,5-6H,3-4H2
InChIKeyPSMIHERUCZHYID-UHFFFAOYSA-N
XLogP1.85
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 86061705) is 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(CCF)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is PSMIHERUCZHYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O2S/c10-7-1-2-9-8(5-7)13(4-3-11)6-12-16(9,14)15/h1-2,5-6H,3-4H2.
What are the key properties of 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 262.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 86061705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).