6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid

C10H10ClNO4S — CID 84642204

IUPAC6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c1-12-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyOPLZVSVSIQBXKZ-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.02
Rot. Bonds1

About 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid

6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid (PubChem CID 84642204) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid
PubChem CID84642204
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c1-12-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyOPLZVSVSIQBXKZ-UHFFFAOYSA-N
XLogP1.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 117202009
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;oxalic acid
CID 18788362
(3S,4S)-4-(2,4-dichlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675449
4-chloro-2-(3-ethylazetidin-1-yl)benzoic acid
CID 79687235
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117200963
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
CID 130906304
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844419
(E)-3-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enoic acid
CID 114858440
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid (CID 84642204) is 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid is CN1CC(C(=O)O)S(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid?
The InChIKey is OPLZVSVSIQBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-12-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid?
6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84642204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).