7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H8ClFN2O2S — CID 67530681

IUPAC7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C10H8ClFN2O2S/c11-7-3-10-9(4-8(7)12)14(6-1-2-6)5-13-17(10,15)16/h3-6H,1-2H2
InChIKeyWTJGOIZFJRRZND-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.18
Rot. Bonds1

About 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67530681) has the molecular formula C10H8ClFN2O2S and a molecular weight of 274.70 g/mol. Its IUPAC name is 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67530681
Molecular FormulaC10H8ClFN2O2S
Molecular Weight274.70 g/mol
Exact Mass274.00
IUPAC Name7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cc(F)c(Cl)cc21
InChIInChI=1S/C10H8ClFN2O2S/c11-7-3-10-9(4-8(7)12)14(6-1-2-6)5-13-17(10,15)16/h3-6H,1-2H2
InChIKeyWTJGOIZFJRRZND-UHFFFAOYSA-N
XLogP2.18
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

7-Chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 10036276
7-Chloro-4-(2-fluoroethyl)-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16049920
7-Chloro-4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 21829528
7-Chloro-3,4-dimethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 21829529
7-Chloro-4-ethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 44425062
AMPA receptor modulator-4
CID 168355639
7-chloro-4-cyclopropyl-2-(fluoromethyl)-3-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 172439089
7-chloro-4-cyclopropyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 172446110
7-chloro-4-cyclopropyl-2-(difluoromethyl)-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 172450963
7-chloro-4-cyclopropyl-2,3-dimethyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 172453026
7-Chloro-4-(2-fluoroethyl)-1,2,4-benzothiadiazine
CID 23104234
7-Chloro-4-(2,2-difluoroethyl)-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 45105047

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67530681) is 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CC2)c2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is WTJGOIZFJRRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2S/c11-7-3-10-9(4-8(7)12)14(6-1-2-6)5-13-17(10,15)16/h3-6H,1-2H2.
What are the key properties of 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 274.70 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-cyclopropyl-6-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67530681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).