7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid

C10H10FNO4S — CID 84637578

IUPAC7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
SMILESCN1c2ccc(F)cc2S(=O)(=O)CC1C(=O)O
InChIInChI=1S/C10H10FNO4S/c1-12-7-3-2-6(11)4-9(7)17(15,16)5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyXSPGHIMVSYHJDO-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.50
Rot. Bonds1

About 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid

7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid (PubChem CID 84637578) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
PubChem CID84637578
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Name7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
SMILESCN1c2ccc(F)cc2S(=O)(=O)CC1C(=O)O
InChIInChI=1S/C10H10FNO4S/c1-12-7-3-2-6(11)4-9(7)17(15,16)5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyXSPGHIMVSYHJDO-UHFFFAOYSA-N
XLogP0.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
2-(6-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84635177
2-(5-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202013
(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
CID 84637031
2-(7-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84637580
1-(7-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-2-amine
CID 84637028
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one
CID 171429000
5-fluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoic acid
CID 102884312
3-(3,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84643251
(2R)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 175870480

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid?
The IUPAC name of 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid (CID 84637578) is 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid?
The canonical SMILES for 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid is CN1c2ccc(F)cc2S(=O)(=O)CC1C(=O)O.
What is the InChIKey of 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid?
The InChIKey is XSPGHIMVSYHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c1-12-7-3-2-6(11)4-9(7)17(15,16)5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14).
What are the key properties of 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid?
7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid is sourced from PubChem (CID 84637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).