(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C15H11ClFNOS — CID 51230274

IUPAC(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCSc2ccccc21
InChIInChI=1S/C15H11ClFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyQAKIYDXBXQBXPN-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.23
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 51230274) has the molecular formula C15H11ClFNOS and a molecular weight of 307.78 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID51230274
Molecular FormulaC15H11ClFNOS
Molecular Weight307.78 g/mol
Exact Mass307.02
IUPAC Name(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCSc2ccccc21
InChIInChI=1S/C15H11ClFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2
InChIKeyQAKIYDXBXQBXPN-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 51230274) is (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCSc2ccccc21.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is QAKIYDXBXQBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-8-20-14-4-2-1-3-13(14)18/h1-6,9H,7-8H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 307.78 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 51230274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).