4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11FN2O2S — CID 67531324

IUPAC4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2
InChIKeyFLTMTBPCYAZIKM-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.04
Rot. Bonds1

About 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67531324) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67531324
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2
InChIKeyFLTMTBPCYAZIKM-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67531324) is 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2ccc(F)cc21.
What is the InChIKey of 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is FLTMTBPCYAZIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2.
What are the key properties of 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 242.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67531324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).