6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

C24H27ClF3N5O3S — CID 134306683

About 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride

6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (PubChem CID 134306683) has the molecular formula C24H27ClF3N5O3S and a molecular weight of 558.03 g/mol. Its IUPAC name is 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
• PubChem CID: 134306683
• Molecular Formula: C24H27ClF3N5O3S
• Molecular Weight: 558.03 g/mol
• Exact Mass: 557.15
• IUPAC Name: 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
• SMILES: CO[C@H]1CNCC[C@H]1Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C)n2)n1.Cl
• InChI: InChI=1S/C24H26F3N5O3S.ClH/c1-15-6-3-4-7-16(15)23-17(24(25,26)27)10-11-21(31-23)32-36(33,34)22-9-5-8-20(30-22)29-18-12-13-28-14-19(18)35-2;/h3-11,18-19,28H,12-14H2,1-2H3,(H,29,30)(H,31,32);1H/t18-,19+;/m1./s1
• InChIKey: HLAHYDLEEOFLME-VOMIJIAVSA-N
• XLogP: 4.48
• TPSA: 105.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.03
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The IUPAC name of 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride (CID 134306683) is 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride.

What is the SMILES notation for 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The canonical SMILES for 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is CO[C@H]1CNCC[C@H]1Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C)n2)n1.Cl.

What is the InChIKey of 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

The InChIKey is HLAHYDLEEOFLME-VOMIJIAVSA-N. The full InChI is InChI=1S/C24H26F3N5O3S.ClH/c1-15-6-3-4-7-16(15)23-17(24(25,26)27)10-11-21(31-23)32-36(33,34)22-9-5-8-20(30-22)29-18-12-13-28-14-19(18)35-2;/h3-11,18-19,28H,12-14H2,1-2H3,(H,29,30)(H,31,32);1H/t18-,19+;/m1./s1.

What are the key properties of 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride?

6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 558.03 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 134306683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).