N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H19N5O3S — CID 44626246

IUPACN-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O3S/c28-21(16-9-10-16)24-22-23-20-8-4-7-19(27(20)25-22)15-11-13-17(14-12-15)26-31(29,30)18-5-2-1-3-6-18/h1-8,11-14,16,26H,9-10H2,(H,24,25,28)
InChIKeyLHZKIASZRIXHLJ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.55
Rot. Bonds6

About N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626246) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626246
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O3S/c28-21(16-9-10-16)24-22-23-20-8-4-7-19(27(20)25-22)15-11-13-17(14-12-15)26-31(29,30)18-5-2-1-3-6-18/h1-8,11-14,16,26H,9-10H2,(H,24,25,28)
InChIKeyLHZKIASZRIXHLJ-UHFFFAOYSA-N
XLogP3.55
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626246) is N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LHZKIASZRIXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-21(16-9-10-16)24-22-23-20-8-4-7-19(27(20)25-22)15-11-13-17(14-12-15)26-31(29,30)18-5-2-1-3-6-18/h1-8,11-14,16,26H,9-10H2,(H,24,25,28).
What are the key properties of N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(benzenesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).