3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride

C22H27ClN4O3S — CID 68949994

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride (PubChem CID 68949994) has the molecular formula C22H27ClN4O3S and a molecular weight of 463.00 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride
• PubChem CID: 68949994
• Molecular Formula: C22H27ClN4O3S
• Molecular Weight: 463.00 g/mol
• Exact Mass: 462.15
• IUPAC Name: 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride
• SMILES: CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(-c4nnc(C)o4)c3)cc2)C1.Cl
• InChI: InChI=1S/C22H26N4O3S.ClH/c1-3-12-26-13-11-19(15-26)17-7-9-20(10-8-17)25-30(27,28)21-6-4-5-18(14-21)22-24-23-16(2)29-22;/h4-10,14,19,25H,3,11-13,15H2,1-2H3;1H/t19-;/m1./s1
• InChIKey: OCGKYCONMSTAAM-FSRHSHDFSA-N
• XLogP: 4.47
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.00
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride?

The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride (CID 68949994) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride.

What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride?

The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride is CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(-c4nnc(C)o4)c3)cc2)C1.Cl.

What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride?

The InChIKey is OCGKYCONMSTAAM-FSRHSHDFSA-N. The full InChI is InChI=1S/C22H26N4O3S.ClH/c1-3-12-26-13-11-19(15-26)17-7-9-20(10-8-17)25-30(27,28)21-6-4-5-18(14-21)22-24-23-16(2)29-22;/h4-10,14,19,25H,3,11-13,15H2,1-2H3;1H/t19-;/m1./s1.

What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride?

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride has a molecular weight of 463.00 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 68949994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).