4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide

C15H14N4O3S — CID 99839607

IUPAC4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)ccn1
InChIInChI=1S/C15H14N4O3S/c16-23(20,21)14-10-12(8-9-17-14)15-18-13(19-22-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,16,20,21)
InChIKeyZHDPLBYVYXRRMY-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.56
Rot. Bonds5

About 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide

4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide (PubChem CID 99839607) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
PubChem CID99839607
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)ccn1
InChIInChI=1S/C15H14N4O3S/c16-23(20,21)14-10-12(8-9-17-14)15-18-13(19-22-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,16,20,21)
InChIKeyZHDPLBYVYXRRMY-UHFFFAOYSA-N
XLogP1.56
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 113291100
4-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63654035
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
1,1,1-trifluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799032
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide?
The IUPAC name of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide (CID 99839607) is 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1cc(-c2nc(CCc3ccccc3)no2)ccn1.
What is the InChIKey of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide?
The InChIKey is ZHDPLBYVYXRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c16-23(20,21)14-10-12(8-9-17-14)15-18-13(19-22-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,16,20,21).
What are the key properties of 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide?
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 99839607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).