1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one

C14H11ClN2O3S — CID 10591971

IUPAC1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
SMILESO=C1NS(=O)(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C14H11ClN2O3S/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-21(17,19)20/h1-8H,9H2,(H,16,18)
InChIKeyXNJWNWNOXPFHEI-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.33
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one

1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one (PubChem CID 10591971) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
PubChem CID10591971
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
SMILESO=C1NS(=O)(=O)N(Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C14H11ClN2O3S/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-21(17,19)20/h1-8H,9H2,(H,16,18)
InChIKeyXNJWNWNOXPFHEI-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one (CID 10591971) is 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one is O=C1NS(=O)(=O)N(Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one?
The InChIKey is XNJWNWNOXPFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-21(17,19)20/h1-8H,9H2,(H,16,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one?
1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one has a molecular weight of 322.77 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one is sourced from PubChem (CID 10591971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).