7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11ClN2O3S — CID 53238586

IUPAC7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C10H11ClN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyYSMSYTOEIHMMTG-UHFFFAOYSA-N
MW274.73 g/mol
LogP2.24
Rot. Bonds1

About 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 53238586) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID53238586
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C10H11ClN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyYSMSYTOEIHMMTG-UHFFFAOYSA-N
XLogP2.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 53238586) is 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is YSMSYTOEIHMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-6(2)16-10-12-8-4-3-7(11)5-9(8)17(14,15)13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 274.73 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yloxy-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 53238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).