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

C10H10ClNO4S — CID 84642199

IUPAC5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2c(Cl)cccc2S(=O)(=O)C1C(=O)O
InChIInChI=1S/C10H10ClNO4S/c1-5-9(10(13)14)17(15,16)7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyGDBSICDPYVVBNM-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.38
Rot. Bonds1

About 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid

5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (PubChem CID 84642199) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
PubChem CID84642199
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2c(Cl)cccc2S(=O)(=O)C1C(=O)O
InChIInChI=1S/C10H10ClNO4S/c1-5-9(10(13)14)17(15,16)7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyGDBSICDPYVVBNM-UHFFFAOYSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84638715
6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84641595
5-chloro-3-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84632115
4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-carboxylic acid
CID 117198510
5-fluoro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84629652
5-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-3-carboxylic acid
CID 84629996
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 96613428
5-ethyl-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84633791
2-(3,5,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)acetic acid
CID 84643300
2-(5-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84636342
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
CID 178049354

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (CID 84642199) is 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is CC1Nc2c(Cl)cccc2S(=O)(=O)C1C(=O)O.
What is the InChIKey of 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The InChIKey is GDBSICDPYVVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-5-9(10(13)14)17(15,16)7-4-2-3-6(11)8(7)12-5/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84642199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).