4-(6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-2-yl)benzenesulfonic acid

HCID 59166308
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Basic information

Standard SMILES
O=C(Nc1cccc(-c2ccc(S(=O)(=O)O)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1
InChIKey
FRJWNARUHJISDO-UHFFFAOYSA-N
Molecular formula
C22H18N2O6S
Average molar mass
438.5 g/mol

Names & identifiers

Preferred name
4-(6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-2-yl)benzenesulfonic acid
IUPAC
4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzenesulfonic acid

Names & synonyms

SCHEMBL1721378FRJWNARUHJISDO-UHFFFAOYSA-N4-(6-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)pyridin-2-yl)benzenesulfonic acid

Database identifiers

PubChem CID
59166308

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

Related reactions

11 records
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Compound notes

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