2-chloro-1,2,4-benzothiadiazine

C7H5ClN2S — CID 154233622

IUPAC2-chloro-1,2,4-benzothiadiazine
SMILESClN1C=Nc2ccccc2S1
InChIInChI=1S/C7H5ClN2S/c8-10-5-9-6-3-1-2-4-7(6)11-10/h1-5H
InChIKeyAMRNXWOJTOANGP-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.82
Rot. Bonds

About 2-chloro-1,2,4-benzothiadiazine

2-chloro-1,2,4-benzothiadiazine (PubChem CID 154233622) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 2-chloro-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name2-chloro-1,2,4-benzothiadiazine
PubChem CID154233622
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name2-chloro-1,2,4-benzothiadiazine
SMILESClN1C=Nc2ccccc2S1
InChIInChI=1S/C7H5ClN2S/c8-10-5-9-6-3-1-2-4-7(6)11-10/h1-5H
InChIKeyAMRNXWOJTOANGP-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2,4-benzothiadiazine?
The IUPAC name of 2-chloro-1,2,4-benzothiadiazine (CID 154233622) is 2-chloro-1,2,4-benzothiadiazine.
What is the SMILES notation for 2-chloro-1,2,4-benzothiadiazine?
The canonical SMILES for 2-chloro-1,2,4-benzothiadiazine is ClN1C=Nc2ccccc2S1.
What is the InChIKey of 2-chloro-1,2,4-benzothiadiazine?
The InChIKey is AMRNXWOJTOANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-10-5-9-6-3-1-2-4-7(6)11-10/h1-5H.
What are the key properties of 2-chloro-1,2,4-benzothiadiazine?
2-chloro-1,2,4-benzothiadiazine has a molecular weight of 184.65 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2,4-benzothiadiazine is sourced from PubChem (CID 154233622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).