8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide

C9H9ClN2O3S — CID 67538495

IUPAC8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc2c(c1Cl)S(=O)(=O)N(C)N=C2
InChIInChI=1S/C9H9ClN2O3S/c1-12-11-5-6-3-4-7(15-2)8(10)9(6)16(12,13)14/h3-5H,1-2H3
InChIKeyGOFWYGIWKLNIFF-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.32
Rot. Bonds1

About 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide

8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide (PubChem CID 67538495) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
PubChem CID67538495
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc2c(c1Cl)S(=O)(=O)N(C)N=C2
InChIInChI=1S/C9H9ClN2O3S/c1-12-11-5-6-3-4-7(15-2)8(10)9(6)16(12,13)14/h3-5H,1-2H3
InChIKeyGOFWYGIWKLNIFF-UHFFFAOYSA-N
XLogP1.32
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The IUPAC name of 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide (CID 67538495) is 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide is COc1ccc2c(c1Cl)S(=O)(=O)N(C)N=C2.
What is the InChIKey of 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
The InChIKey is GOFWYGIWKLNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c1-12-11-5-6-3-4-7(15-2)8(10)9(6)16(12,13)14/h3-5H,1-2H3.
What are the key properties of 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide?
8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide has a molecular weight of 260.70 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67538495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).