2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one

C13H7ClFNOS — CID 56680240

IUPAC2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one
SMILESO=c1c2ccc(F)cc2sn1-c1cccc(Cl)c1
InChIInChI=1S/C13H7ClFNOS/c14-8-2-1-3-10(6-8)16-13(17)11-5-4-9(15)7-12(11)18-16/h1-7H
InChIKeyDPZNIAVSFSSDNU-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.84
Rot. Bonds1

About 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one

2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one (PubChem CID 56680240) has the molecular formula C13H7ClFNOS and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one
PubChem CID56680240
Molecular FormulaC13H7ClFNOS
Molecular Weight279.72 g/mol
Exact Mass278.99
IUPAC Name2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one
SMILESO=c1c2ccc(F)cc2sn1-c1cccc(Cl)c1
InChIInChI=1S/C13H7ClFNOS/c14-8-2-1-3-10(6-8)16-13(17)11-5-4-9(15)7-12(11)18-16/h1-7H
InChIKeyDPZNIAVSFSSDNU-UHFFFAOYSA-N
XLogP3.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one (CID 56680240) is 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one is O=c1c2ccc(F)cc2sn1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one?
The InChIKey is DPZNIAVSFSSDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNOS/c14-8-2-1-3-10(6-8)16-13(17)11-5-4-9(15)7-12(11)18-16/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one?
2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one has a molecular weight of 279.72 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one is sourced from PubChem (CID 56680240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).