N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

C21H19N7O3S — CID 53236168

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccccc1
InChIInChI=1S/C21H19N7O3S/c29-32(30,16-6-2-1-3-7-16)23-14-19-24-21(31-26-19)20-17-8-4-5-9-18(17)25-28(20)13-12-27-11-10-22-15-27/h1-11,15,23H,12-14H2
InChIKeyHCNLTYRHZNNLAI-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.46
Rot. Bonds8

About N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 53236168) has the molecular formula C21H19N7O3S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID53236168
Molecular FormulaC21H19N7O3S
Molecular Weight449.50 g/mol
Exact Mass449.13
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccccc1
InChIInChI=1S/C21H19N7O3S/c29-32(30,16-6-2-1-3-7-16)23-14-19-24-21(31-26-19)20-17-8-4-5-9-18(17)25-28(20)13-12-27-11-10-22-15-27/h1-11,15,23H,12-14H2
InChIKeyHCNLTYRHZNNLAI-UHFFFAOYSA-N
XLogP2.46
TPSA120.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (CID 53236168) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1ccccc1.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is HCNLTYRHZNNLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S/c29-32(30,16-6-2-1-3-7-16)23-14-19-24-21(31-26-19)20-17-8-4-5-9-18(17)25-28(20)13-12-27-11-10-22-15-27/h1-11,15,23H,12-14H2.
What are the key properties of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 449.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53236168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).