5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11ClN2O2S — CID 67530190

IUPAC5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)13(7-4-5-7)6-12-16(9,14)15/h1-3,7,12H,4-6H2
InChIKeyAJHMPJBJWMTGQS-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.56
Rot. Bonds1

About 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67530190) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67530190
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)13(7-4-5-7)6-12-16(9,14)15/h1-3,7,12H,4-6H2
InChIKeyAJHMPJBJWMTGQS-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-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 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67530190) is 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is AJHMPJBJWMTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-8-2-1-3-9-10(8)13(7-4-5-7)6-12-16(9,14)15/h1-3,7,12H,4-6H2.
What are the key properties of 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 258.73 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67530190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).