2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

C15H13FN2O4S — CID 19834917

IUPAC2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccc2c(c1)N(C)C(=O)N(c1ccc(F)cc1)S2(=O)=O
InChIInChI=1S/C15H13FN2O4S/c1-17-13-9-12(22-2)7-8-14(13)23(20,21)18(15(17)19)11-5-3-10(16)4-6-11/h3-9H,1-2H3
InChIKeyKBWZAXJZQCUOGS-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one

2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 19834917) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
PubChem CID19834917
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
SMILESCOc1ccc2c(c1)N(C)C(=O)N(c1ccc(F)cc1)S2(=O)=O
InChIInChI=1S/C15H13FN2O4S/c1-17-13-9-12(22-2)7-8-14(13)23(20,21)18(15(17)19)11-5-3-10(16)4-6-11/h3-9H,1-2H3
InChIKeyKBWZAXJZQCUOGS-UHFFFAOYSA-N
XLogP2.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one (CID 19834917) is 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is COc1ccc2c(c1)N(C)C(=O)N(c1ccc(F)cc1)S2(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is KBWZAXJZQCUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-17-13-9-12(22-2)7-8-14(13)23(20,21)18(15(17)19)11-5-3-10(16)4-6-11/h3-9H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one?
2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 336.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 19834917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).