2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid

C10H10FNO4S — CID 84637590

IUPAC2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)c2ccc(F)cc2N1
InChIInChI=1S/C10H10FNO4S/c11-6-1-2-9-8(3-6)12-7(4-10(13)14)5-17(9,15)16/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyZLIQHHDWOJLYDL-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.87
Rot. Bonds2

About 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid

2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid (PubChem CID 84637590) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
PubChem CID84637590
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Name2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)c2ccc(F)cc2N1
InChIInChI=1S/C10H10FNO4S/c11-6-1-2-9-8(3-6)12-7(4-10(13)14)5-17(9,15)16/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyZLIQHHDWOJLYDL-UHFFFAOYSA-N
XLogP0.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid with MolForge

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Related Compounds

2-(7-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84637580
2-(1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643266
3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625806
(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanol
CID 84625306
2-(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84628383
2-(5-methoxy-8-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643530
2-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202013
2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid
CID 118627447
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 84704436
(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84621691
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 117202014
(7-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanol
CID 84625297

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid (CID 84637590) is 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid is O=C(O)CC1CS(=O)(=O)c2ccc(F)cc2N1.
What is the InChIKey of 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
The InChIKey is ZLIQHHDWOJLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c11-6-1-2-9-8(3-6)12-7(4-10(13)14)5-17(9,15)16/h1-3,7,12H,4-5H2,(H,13,14).
What are the key properties of 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid?
2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid has a molecular weight of 259.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid is sourced from PubChem (CID 84637590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).