7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide

C9H8ClNO2S — CID 158107838

IUPAC7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)ccc2C1
InChIInChI=1S/C9H8ClNO2S/c1-6-4-7-2-3-8(10)5-9(7)14(12,13)11-6/h2-3,5H,4H2,1H3
InChIKeyVWQIXXFSXBTBFJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.05
Rot. Bonds

About 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide

7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 158107838) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID158107838
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)ccc2C1
InChIInChI=1S/C9H8ClNO2S/c1-6-4-7-2-3-8(10)5-9(7)14(12,13)11-6/h2-3,5H,4H2,1H3
InChIKeyVWQIXXFSXBTBFJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide with MolForge

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Related Compounds

7-chloro-3-(4-methylpiperazin-1-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;hydrochloride
CID 21430314
6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide
CID 117061278
7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 23274161
7-chloro-3-pentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 119090237
(7-chloro-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl phosphate
CID 140762132
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
CID 66993056
6-chloro-2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
CID 10824296
6-chloro-3-pentan-3-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 142640097
5-chloro-3-pyrazol-1-yl-1,2-benzothiazole 1,1-dioxide
CID 91620771
6-chloro-1-methyl-3H-2,1-benzothiazole 2,2-dioxide
CID 126992599
6-chloro-2-methyl-1,1-dioxo-1-benzothiophen-3-olate
CID 20614841
2-chloro-7-methyl-10H-anthracen-9-one
CID 11806832

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide (CID 158107838) is 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is VWQIXXFSXBTBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-6-4-7-2-3-8(10)5-9(7)14(12,13)11-6/h2-3,5H,4H2,1H3.
What are the key properties of 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide?
7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 229.69 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-4H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 158107838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).