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

C23H19N5O3S — CID 42637501

IUPACN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C23H19N5O3S/c29-32(30,18-11-5-2-6-12-18)24-15-21-25-23(31-27-21)22-19-13-7-8-14-20(19)28(26-22)16-17-9-3-1-4-10-17/h1-14,24H,15-16H2
InChIKeyZVECNIITUSVRGA-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.61
Rot. Bonds7

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

N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 42637501) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID42637501
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC NameN-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C23H19N5O3S/c29-32(30,18-11-5-2-6-12-18)24-15-21-25-23(31-27-21)22-19-13-7-8-14-20(19)28(26-22)16-17-9-3-1-4-10-17/h1-14,24H,15-16H2
InChIKeyZVECNIITUSVRGA-UHFFFAOYSA-N
XLogP3.61
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (CID 42637501) is N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1.
What is the InChIKey of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is ZVECNIITUSVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c29-32(30,18-11-5-2-6-12-18)24-15-21-25-23(31-27-21)22-19-13-7-8-14-20(19)28(26-22)16-17-9-3-1-4-10-17/h1-14,24H,15-16H2.
What are the key properties of N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 42637501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).