2J9

4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

Created:	2013-10-28
Last modified:	2013-11-20

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14 entries where 2J9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of 2J9

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Chemical Component Summary
Name	4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
Systematic Name (OpenEye OEToolkits)	4-cyclopropyl-7-fluoranyl-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
Formula	C₁₀ H₁₁ F N₂ O₂ S
Molecular Weight	242.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc2c(c1)S(=O)(=O)NCN2C3CC3
SMILES	CACTVS	3.385	Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3
Canonical SMILES	CACTVS	3.385	Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3
InChI	InChI	1.03	InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2
InChIKey	InChI	1.03	FLTMTBPCYAZIKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2441067
PubChem	67531324
ChEMBL	CHEMBL2441067

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