4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H13FN2O3S — CID 45103613

IUPAC4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)NCN2CCF
InChIInChI=1S/C10H13FN2O3S/c1-16-8-2-3-9-10(6-8)17(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyKWCDCFICSOKFNO-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.72
Rot. Bonds3

About 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45103613) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45103613
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)NCN2CCF
InChIInChI=1S/C10H13FN2O3S/c1-16-8-2-3-9-10(6-8)17(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyKWCDCFICSOKFNO-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45103613) is 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is COc1ccc2c(c1)S(=O)(=O)NCN2CCF.
What is the InChIKey of 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is KWCDCFICSOKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-16-8-2-3-9-10(6-8)17(14,15)12-7-13(9)5-4-11/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 260.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-7-methoxy-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45103613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).