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

C9H8F2N2O2S — CID 45103509

IUPAC7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCF)c2ccc(F)cc21
InChIInChI=1S/C9H8F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5-6H,3-4H2
InChIKeySBLQMLBXTAPTQC-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.33
Rot. Bonds2

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

7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103509) has the molecular formula C9H8F2N2O2S and a molecular weight of 246.24 g/mol. Its IUPAC name is 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103509
Molecular FormulaC9H8F2N2O2S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(CCF)c2ccc(F)cc21
InChIInChI=1S/C9H8F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5-6H,3-4H2
InChIKeySBLQMLBXTAPTQC-UHFFFAOYSA-N
XLogP1.33
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-1,2,4-Benzothiadiazine, 1,1-dioxide
CID 67756
2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
CID 198690
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
N-[2,2,2-trifluoro-1-(methylanilino)ethylidene]benzenesulfonamide
CID 11841933
7-Fluoro-4-(2-fluoroethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45103609
4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137931
N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 711084
4-(3-fluorobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137833
4-fluoro-N-prop-2-enyl-2-(prop-2-enylamino)benzenesulfonamide
CID 44601982
N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 164614796

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103509) is 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(CCF)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is SBLQMLBXTAPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2S/c10-3-4-13-6-12-16(14,15)9-5-7(11)1-2-8(9)13/h1-2,5-6H,3-4H2.
What are the key properties of 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 246.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-fluoroethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).