6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile

C15H8F2N2O2S — CID 53125341

IUPAC6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile
SMILESN#CC1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C15H8F2N2O2S/c16-10-1-4-12(5-2-10)19-9-13(8-18)22(20,21)15-6-3-11(17)7-14(15)19/h1-7,9H
InChIKeyTZXNEYZWMGAZRW-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.26
Rot. Bonds1

About 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile

6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile (PubChem CID 53125341) has the molecular formula C15H8F2N2O2S and a molecular weight of 318.30 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile
PubChem CID53125341
Molecular FormulaC15H8F2N2O2S
Molecular Weight318.30 g/mol
Exact Mass318.03
IUPAC Name6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile
SMILESN#CC1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C15H8F2N2O2S/c16-10-1-4-12(5-2-10)19-9-13(8-18)22(20,21)15-6-3-11(17)7-14(15)19/h1-7,9H
InChIKeyTZXNEYZWMGAZRW-UHFFFAOYSA-N
XLogP3.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile (CID 53125341) is 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile is N#CC1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile?
The InChIKey is TZXNEYZWMGAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2S/c16-10-1-4-12(5-2-10)19-9-13(8-18)22(20,21)15-6-3-11(17)7-14(15)19/h1-7,9H.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile?
6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile has a molecular weight of 318.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazine-2-carbonitrile is sourced from PubChem (CID 53125341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).