4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide

C11H13N3O3S — CID 3239579

IUPAC4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide
SMILESNC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C11H13N3O3S/c12-10(15)6-3-7-11-13-8-4-1-2-5-9(8)18(16,17)14-11/h1-2,4-5H,3,6-7H2,(H2,12,15)(H,13,14)
InChIKeyKMJUSGMMMQAWGB-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.85
Rot. Bonds4

About 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide

4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide (PubChem CID 3239579) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide
PubChem CID3239579
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide
SMILESNC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C11H13N3O3S/c12-10(15)6-3-7-11-13-8-4-1-2-5-9(8)18(16,17)14-11/h1-2,4-5H,3,6-7H2,(H2,12,15)(H,13,14)
InChIKeyKMJUSGMMMQAWGB-UHFFFAOYSA-N
XLogP0.85
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide?
The IUPAC name of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide (CID 3239579) is 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide.
What is the SMILES notation for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide?
The canonical SMILES for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide is NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide?
The InChIKey is KMJUSGMMMQAWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-10(15)6-3-7-11-13-8-4-1-2-5-9(8)18(16,17)14-11/h1-2,4-5H,3,6-7H2,(H2,12,15)(H,13,14).
What are the key properties of 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide?
4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide has a molecular weight of 267.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanamide is sourced from PubChem (CID 3239579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).