3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione

C15H10FNO2S — CID 3418935

IUPAC3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione
SMILESO=c1sc2ccccc2c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H10FNO2S/c16-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)20-15(17)19/h1-8H,9H2
InChIKeyRDCUDRCASGNAMS-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.61
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione

3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione (PubChem CID 3418935) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione
PubChem CID3418935
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione
SMILESO=c1sc2ccccc2c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H10FNO2S/c16-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)20-15(17)19/h1-8H,9H2
InChIKeyRDCUDRCASGNAMS-UHFFFAOYSA-N
XLogP2.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione (CID 3418935) is 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione is O=c1sc2ccccc2c(=O)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione?
The InChIKey is RDCUDRCASGNAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)20-15(17)19/h1-8H,9H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione?
3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione has a molecular weight of 287.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 3418935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).