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

C10H13FN2O2S — CID 45103612

IUPAC4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2CCF
InChIInChI=1S/C10H13FN2O2S/c1-8-2-3-9-10(6-8)16(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBUEIPFFFCCELMA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.02
Rot. Bonds2

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

4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103612) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103612
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)NCN2CCF
InChIInChI=1S/C10H13FN2O2S/c1-8-2-3-9-10(6-8)16(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBUEIPFFFCCELMA-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Caldaret
CID 6433076
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 67531324
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 12528487
4-Cyclopropyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 67530213
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629
1,2,3,4-Tetrahydro-3-methyl-8-quinolinesulfonamide
CID 42959251
3-fluoro-6a,7,8,9,10,11-hexahydro-6H-azepino[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 2999527
4-Butyl-2-[2-(4-fluorophenyl)ethyl]-1,1-dioxo-7-(trifluoromethyl)-1lambda6,2,4-benzothiadiazin-3-one
CID 44602026
7-Fluoro-4-(2-fluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45103609
4-Cyclopropyl-7-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 67529506

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103612) is 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)NCN2CCF.
What is the InChIKey of 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is BUEIPFFFCCELMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-8-2-3-9-10(6-8)16(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 244.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-7-methyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).