6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

C22H23ClF3N5O2S — CID 134308318

About 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (PubChem CID 134308318) has the molecular formula C22H23ClF3N5O2S and a molecular weight of 513.97 g/mol. Its IUPAC name is 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
• PubChem CID: 134308318
• Molecular Formula: C22H23ClF3N5O2S
• Molecular Weight: 513.97 g/mol
• Exact Mass: 513.12
• IUPAC Name: 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
• SMILES: Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CC[C@@H](N)C3)n2)ccc1C(F)(F)F.Cl
• InChI: InChI=1S/C22H22F3N5O2S.ClH/c1-14-5-2-3-6-16(14)21-17(22(23,24)25)9-10-18(27-21)29-33(31,32)20-8-4-7-19(28-20)30-12-11-15(26)13-30;/h2-10,15H,11-13,26H2,1H3,(H,27,29);1H/t15-;/m1./s1
• InChIKey: AQJDBMGUMJSZDN-XFULWGLBSA-N
• XLogP: 4.23
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.97
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (CID 134308318) is 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.

What is the SMILES notation for 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The canonical SMILES for 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CC[C@@H](N)C3)n2)ccc1C(F)(F)F.Cl.

What is the InChIKey of 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The InChIKey is AQJDBMGUMJSZDN-XFULWGLBSA-N. The full InChI is InChI=1S/C22H22F3N5O2S.ClH/c1-14-5-2-3-6-16(14)21-17(22(23,24)25)9-10-18(27-21)29-33(31,32)20-8-4-7-19(28-20)30-12-11-15(26)13-30;/h2-10,15H,11-13,26H2,1H3,(H,27,29);1H/t15-;/m1./s1.

What are the key properties of 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 513.97 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-aminopyrrolidin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134308318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).