N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

C16H14ClN3O3S — CID 22589157

IUPACN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)9-18-16(21)10-20-11-19-24(22,23)15-8-4-3-7-14(15)20/h1-8,11H,9-10H2,(H,18,21)
InChIKeyKARUOYKMDYSNCA-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.19
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (PubChem CID 22589157) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
PubChem CID22589157
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C=NS(=O)(=O)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)9-18-16(21)10-20-11-19-24(22,23)15-8-4-3-7-14(15)20/h1-8,11H,9-10H2,(H,18,21)
InChIKeyKARUOYKMDYSNCA-UHFFFAOYSA-N
XLogP2.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-5-yl)acetamide
CID 20890338
N-[(2-chlorophenyl)methyl]-2-[2-(2-methylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 22589367
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(furan-2-yl)ethanone
CID 107342739
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 46274970
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide (CID 22589157) is N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is O=C(CN1C=NS(=O)(=O)c2ccccc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The InChIKey is KARUOYKMDYSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)9-18-16(21)10-20-11-19-24(22,23)15-8-4-3-7-14(15)20/h1-8,11H,9-10H2,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide is sourced from PubChem (CID 22589157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).