9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

C13H10Cl2N2O2S — CID 66824079

IUPAC9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3cccc(Cl)c3Cl)C2=N1
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-5-1-3-9(12(11)15)10-4-2-6-17-7-8-20(18,19)16-13(10)17/h1-6H,7-8H2
InChIKeyMCABPSUURSLSEC-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.95
Rot. Bonds1

About 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 66824079) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID66824079
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC Name9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3cccc(Cl)c3Cl)C2=N1
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-5-1-3-9(12(11)15)10-4-2-6-17-7-8-20(18,19)16-13(10)17/h1-6H,7-8H2
InChIKeyMCABPSUURSLSEC-UHFFFAOYSA-N
XLogP2.95
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (CID 66824079) is 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is O=S1(=O)CCN2C=CC=C(c3cccc(Cl)c3Cl)C2=N1.
What is the InChIKey of 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is MCABPSUURSLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-11-5-1-3-9(12(11)15)10-4-2-6-17-7-8-20(18,19)16-13(10)17/h1-6H,7-8H2.
What are the key properties of 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 329.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 66824079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).