7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H9ClF2N2O2S — CID 45105048

IUPAC7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CC(F)F)c2ccc(Cl)cc21
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-1-2-7-8(3-6)17(15,16)13-5-14(7)4-9(11)12/h1-3,9,13H,4-5H2
InChIKeyICZUMACHXDOSIN-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.66
Rot. Bonds2

About 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 45105048) has the molecular formula C9H9ClF2N2O2S and a molecular weight of 282.70 g/mol. Its IUPAC name is 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID45105048
Molecular FormulaC9H9ClF2N2O2S
Molecular Weight282.70 g/mol
Exact Mass282.00
IUPAC Name7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CC(F)F)c2ccc(Cl)cc21
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-1-2-7-8(3-6)17(15,16)13-5-14(7)4-9(11)12/h1-3,9,13H,4-5H2
InChIKeyICZUMACHXDOSIN-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 45105048) is 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(CC(F)F)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ICZUMACHXDOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2S/c10-6-1-2-7-8(3-6)17(15,16)13-5-14(7)4-9(11)12/h1-3,9,13H,4-5H2.
What are the key properties of 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 282.70 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2,2-difluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 45105048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).