4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H9FN2O2S — CID 67531143

IUPAC4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cccc(F)c21
InChIInChI=1S/C10H9FN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyWHNDUOSJLNBZPI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.53
Rot. Bonds1

About 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67531143) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67531143
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CC2)c2cccc(F)c21
InChIInChI=1S/C10H9FN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyWHNDUOSJLNBZPI-UHFFFAOYSA-N
XLogP1.53
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-8-fluoro-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

Related Compounds

7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530722
6-chloro-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67529370
4-cyclobutyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-amine
CID 67530308
9-fluoro-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43155237
4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342794
8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106618
8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096858
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-benzimidazole-2-thione
CID 54919810
3-chloro-7-fluoro-1,2-benzothiazole 1,1-dioxide
CID 67043412
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
N-[2-(3,3-difluoropyrrolidin-1-yl)phenyl]-4-fluoro-1,1-dioxo-1,2-benzothiazol-3-amine
CID 175495936
N-(2,6-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110390869

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67531143) is 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CC2)c2cccc(F)c21.
What is the InChIKey of 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is WHNDUOSJLNBZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c11-8-2-1-3-9-10(8)16(14,15)12-6-13(9)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 240.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-8-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67531143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).