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

C9H10F2N2O2S — CID 45103609

IUPAC7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(F)cc21
InChIInChI=1S/C9H10F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5,12H,3-4,6H2
InChIKeyNVCXTOZCYARIAF-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.85
Rot. Bonds2

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

7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103609) has the molecular formula C9H10F2N2O2S and a molecular weight of 248.25 g/mol. Its IUPAC name is 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103609
Molecular FormulaC9H10F2N2O2S
Molecular Weight248.25 g/mol
Exact Mass248.04
IUPAC Name7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2ccc(F)cc21
InChIInChI=1S/C9H10F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5,12H,3-4,6H2
InChIKeyNVCXTOZCYARIAF-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

S-18986
CID 637863
4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
CID 11096006
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide
CID 120220
5-fluoro-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 82078731
7-chloro-4-(2-fluoroethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 11161396
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
3-Ethylamino-6,7-difluoro-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135409727
6,7-difluoro-1,1-dioxo-N-propan-2-yl-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135428940
3-(Cyclobutylamino)-7-fluoro-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135438180

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103609) is 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(CCF)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is NVCXTOZCYARIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5,12H,3-4,6H2.
What are the key properties of 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 248.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).