4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C13H10FN3O2S — CID 53015159

IUPAC4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCc1ccc(N2C=NS(=O)(=O)c3cccnc32)cc1F
InChIInChI=1S/C13H10FN3O2S/c1-9-4-5-10(7-11(9)14)17-8-16-20(18,19)12-3-2-6-15-13(12)17/h2-8H,1H3
InChIKeyFLPHYKLREAQEGA-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.40
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 53015159) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID53015159
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCc1ccc(N2C=NS(=O)(=O)c3cccnc32)cc1F
InChIInChI=1S/C13H10FN3O2S/c1-9-4-5-10(7-11(9)14)17-8-16-20(18,19)12-3-2-6-15-13(12)17/h2-8H,1H3
InChIKeyFLPHYKLREAQEGA-UHFFFAOYSA-N
XLogP2.40
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 53015159) is 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is Cc1ccc(N2C=NS(=O)(=O)c3cccnc32)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is FLPHYKLREAQEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-9-4-5-10(7-11(9)14)17-8-16-20(18,19)12-3-2-6-15-13(12)17/h2-8H,1H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 291.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 53015159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).