7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol

C14H11Cl2N3O3S — CID 135950090

IUPAC7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
SMILESO=S1(=O)N/C(=N/Cc2ccccc2Cl)Nc2c(O)cc(Cl)cc21
InChIInChI=1S/C14H11Cl2N3O3S/c15-9-5-11(20)13-12(6-9)23(21,22)19-14(18-13)17-7-8-3-1-2-4-10(8)16/h1-6,20H,7H2,(H2,17,18,19)
InChIKeyIRWOIYOJJPHOJF-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.96
Rot. Bonds2

About 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol

7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol (PubChem CID 135950090) has the molecular formula C14H11Cl2N3O3S and a molecular weight of 372.23 g/mol. Its IUPAC name is 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol.

Molecular Properties

Compound Name7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
PubChem CID135950090
Molecular FormulaC14H11Cl2N3O3S
Molecular Weight372.23 g/mol
Exact Mass370.99
IUPAC Name7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
SMILESO=S1(=O)N/C(=N/Cc2ccccc2Cl)Nc2c(O)cc(Cl)cc21
InChIInChI=1S/C14H11Cl2N3O3S/c15-9-5-11(20)13-12(6-9)23(21,22)19-14(18-13)17-7-8-3-1-2-4-10(8)16/h1-6,20H,7H2,(H2,17,18,19)
InChIKeyIRWOIYOJJPHOJF-UHFFFAOYSA-N
XLogP2.96
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The IUPAC name of 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol (CID 135950090) is 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol.
What is the SMILES notation for 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The canonical SMILES for 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol is O=S1(=O)N/C(=N/Cc2ccccc2Cl)Nc2c(O)cc(Cl)cc21.
What is the InChIKey of 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
The InChIKey is IRWOIYOJJPHOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3S/c15-9-5-11(20)13-12(6-9)23(21,22)19-14(18-13)17-7-8-3-1-2-4-10(8)16/h1-6,20H,7H2,(H2,17,18,19).
What are the key properties of 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol?
7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol has a molecular weight of 372.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol is sourced from PubChem (CID 135950090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).