8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide

C15H12F2N2O2S — CID 51042068

IUPAC8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide
SMILESCN1N=C(c2ccc(F)cc2)c2ccc(F)cc2CS1(=O)=O
InChIInChI=1S/C15H12F2N2O2S/c1-19-18-15(10-2-4-12(16)5-3-10)14-7-6-13(17)8-11(14)9-22(19,20)21/h2-8H,9H2,1H3
InChIKeyMQOXMNOJXSMVQT-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.49
Rot. Bonds1

About 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide

8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide (PubChem CID 51042068) has the molecular formula C15H12F2N2O2S and a molecular weight of 322.34 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide.

Molecular Properties

Compound Name8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide
PubChem CID51042068
Molecular FormulaC15H12F2N2O2S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide
SMILESCN1N=C(c2ccc(F)cc2)c2ccc(F)cc2CS1(=O)=O
InChIInChI=1S/C15H12F2N2O2S/c1-19-18-15(10-2-4-12(16)5-3-10)14-7-6-13(17)8-11(14)9-22(19,20)21/h2-8H,9H2,1H3
InChIKeyMQOXMNOJXSMVQT-UHFFFAOYSA-N
XLogP2.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The IUPAC name of 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide (CID 51042068) is 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide.
What is the SMILES notation for 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The canonical SMILES for 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide is CN1N=C(c2ccc(F)cc2)c2ccc(F)cc2CS1(=O)=O.
What is the InChIKey of 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
The InChIKey is MQOXMNOJXSMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2S/c1-19-18-15(10-2-4-12(16)5-3-10)14-7-6-13(17)8-11(14)9-22(19,20)21/h2-8H,9H2,1H3.
What are the key properties of 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide?
8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide has a molecular weight of 322.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluorophenyl)-3-methyl-1H-2λ6,3,4-benzothiadiazepine 2,2-dioxide is sourced from PubChem (CID 51042068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).