3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C14H11ClN2O2S2 — CID 18580061

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(SCc2ccccc2Cl)Nc2ccccc21
InChIInChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-20-14-16-12-7-3-4-8-13(12)21(18,19)17-14/h1-8H,9H2,(H,16,17)
InChIKeyFYIXCDFZXWZLQQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.74
Rot. Bonds2

About 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 18580061) has the molecular formula C14H11ClN2O2S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID18580061
Molecular FormulaC14H11ClN2O2S2
Molecular Weight338.84 g/mol
Exact Mass338.00
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(SCc2ccccc2Cl)Nc2ccccc21
InChIInChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-20-14-16-12-7-3-4-8-13(12)21(18,19)17-14/h1-8H,9H2,(H,16,17)
InChIKeyFYIXCDFZXWZLQQ-UHFFFAOYSA-N
XLogP3.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 18580061) is 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(SCc2ccccc2Cl)Nc2ccccc21.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is FYIXCDFZXWZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S2/c15-11-6-2-1-5-10(11)9-20-14-16-12-7-3-4-8-13(12)21(18,19)17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 338.84 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 18580061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).