N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

C15H11Cl2N3O3S2 — CID 18579973

IUPACN-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-10-6-5-9(7-11(10)17)18-14(21)8-24-15-19-12-3-1-2-4-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyWBEZNGVCPSOWLU-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.84
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide (PubChem CID 18579973) has the molecular formula C15H11Cl2N3O3S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
PubChem CID18579973
Molecular FormulaC15H11Cl2N3O3S2
Molecular Weight416.31 g/mol
Exact Mass414.96
IUPAC NameN-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-10-6-5-9(7-11(10)17)18-14(21)8-24-15-19-12-3-1-2-4-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyWBEZNGVCPSOWLU-UHFFFAOYSA-N
XLogP3.84
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide (CID 18579973) is N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide is O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The InChIKey is WBEZNGVCPSOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S2/c16-10-6-5-9(7-11(10)17)18-14(21)8-24-15-19-12-3-1-2-4-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide has a molecular weight of 416.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18579973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).