N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

C16H14ClN3O3S — CID 46274970

IUPACN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESO=C(CC1=NS(=O)(=O)c2ccccc2N1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-12-6-2-1-5-11(12)10-18-16(21)9-15-19-13-7-3-4-8-14(13)24(22,23)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyVORCUHVEVSETIM-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.56
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (PubChem CID 46274970) 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-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
PubChem CID46274970
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESO=C(CC1=NS(=O)(=O)c2ccccc2N1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O3S/c17-12-6-2-1-5-11(12)10-18-16(21)9-15-19-13-7-3-4-8-14(13)24(22,23)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyVORCUHVEVSETIM-UHFFFAOYSA-N
XLogP2.56
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 20902312
N-[(2-chlorophenyl)methyl]-3-[1,1-dioxo-6-(trifluoromethyl)-4H-1λ6,2,4-benzothiadiazin-3-yl]propanamide
CID 46279843
(3R)-N-[(2,4-dichlorophenyl)methyl]-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 27532681
N-[(2-chlorophenyl)methyl]-2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 16823442
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
CID 20921954
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589157
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46279820
N-[(2-chlorophenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690809
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 22588521
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (CID 46274970) is N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is O=C(CC1=NS(=O)(=O)c2ccccc2N1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The InChIKey is VORCUHVEVSETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-12-6-2-1-5-11(12)10-18-16(21)9-15-19-13-7-3-4-8-14(13)24(22,23)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 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-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 46274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).