7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C10H13ClN2O2S — CID 16732621

IUPAC7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CN(C)S(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C10H13ClN2O2S/c1-3-13-7-12(2)16(14,15)10-6-8(11)4-5-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyQWTHTQYWOMSDJL-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.76
Rot. Bonds1

About 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 16732621) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID16732621
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1CN(C)S(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C10H13ClN2O2S/c1-3-13-7-12(2)16(14,15)10-6-8(11)4-5-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyQWTHTQYWOMSDJL-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 16732621) is 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is CCN1CN(C)S(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is QWTHTQYWOMSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-3-13-7-12(2)16(14,15)10-6-8(11)4-5-9(10)13/h4-6H,3,7H2,1-2H3.
What are the key properties of 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 260.75 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-2-methyl-3H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 16732621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).