4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide

C20H22N4O3S — CID 120851063

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-6-2-3-7-17(14)24-28(25,26)16-10-8-15(9-11-16)18-22-19(23-27-18)20(21)12-4-5-13-20/h2-3,6-11,24H,4-5,12-13,21H2,1H3
InChIKeyMRDRHOAORJEQMU-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.57
Rot. Bonds5

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

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 120851063) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
PubChem CID120851063
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-6-2-3-7-17(14)24-28(25,26)16-10-8-15(9-11-16)18-22-19(23-27-18)20(21)12-4-5-13-20/h2-3,6-11,24H,4-5,12-13,21H2,1H3
InChIKeyMRDRHOAORJEQMU-UHFFFAOYSA-N
XLogP3.57
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide (CID 120851063) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is MRDRHOAORJEQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-6-2-3-7-17(14)24-28(25,26)16-10-8-15(9-11-16)18-22-19(23-27-18)20(21)12-4-5-13-20/h2-3,6-11,24H,4-5,12-13,21H2,1H3.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 120851063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).