2-[1-(Cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]-6-fluorobenzonitrile

HCID 53380237
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Basic information

Standard SMILES
CN1c2cc(-c3cccc(F)c3C#N)ccc2N(CC2CC2)S1(=O)=O
InChIKey
UPIWDGSZITWUMA-UHFFFAOYSA-N
Molecular formula
C18H16FN3O2S
Average molar mass
357.4 g/mol

Names & identifiers

Preferred name
2-[1-(Cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]-6-fluorobenzonitrile
IUPAC
2-[1-(cyclopropylmethyl)-3-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl]-6-fluorobenzonitrile

Names & synonyms

SCHEMBL2532499UPIWDGSZITWUMA-UHFFFAOYSA-N2-[1-(cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]-6-fluorobenzonitrile

Database identifiers

PubChem CID
53380237

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
72.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
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Compound notes

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2-[1-(Cyclopropylmethyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]-6-fluorobenzonitrile (HCID 53380237)｜Huagongshe