7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol

C14H12FNO3S — CID 59613822

IUPAC7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
SMILESCc1cc(F)c2c(c1)C(O)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C14H12FNO3S/c1-9-7-11-13(12(15)8-9)20(18,19)16(14(11)17)10-5-3-2-4-6-10/h2-8,14,17H,1H3
InChIKeyYGCLDCWUEKBBAM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.33
Rot. Bonds1

About 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol

7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol (PubChem CID 59613822) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
PubChem CID59613822
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
SMILESCc1cc(F)c2c(c1)C(O)N(c1ccccc1)S2(=O)=O
InChIInChI=1S/C14H12FNO3S/c1-9-7-11-13(12(15)8-9)20(18,19)16(14(11)17)10-5-3-2-4-6-10/h2-8,14,17H,1H3
InChIKeyYGCLDCWUEKBBAM-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59613930
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CID 68778781
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CID 122529320

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The IUPAC name of 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol (CID 59613822) is 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol.
What is the SMILES notation for 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The canonical SMILES for 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol is Cc1cc(F)c2c(c1)C(O)N(c1ccccc1)S2(=O)=O.
What is the InChIKey of 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The InChIKey is YGCLDCWUEKBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-9-7-11-13(12(15)8-9)20(18,19)16(14(11)17)10-5-3-2-4-6-10/h2-8,14,17H,1H3.
What are the key properties of 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol has a molecular weight of 293.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol is sourced from PubChem (CID 59613822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).