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

C24H26F3N5O3S — CID 134306496

IUPAC6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCO[C@H]1CCNC[C@H]1Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C)n2)n1
InChIInChI=1S/C24H26F3N5O3S/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)29-18-14-28-13-12-19(18)35-2/h3-11,18-19,28H,12-14H2,1-2H3,(H,29,30)(H,31,32)/t18-,19+/m1/s1
InChIKeyOTRWSMCJPAEACN-MOPGFXCFSA-N
MW521.57 g/mol
LogP4.06
Rot. Bonds7

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

6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306496) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306496
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC Name6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCO[C@H]1CCNC[C@H]1Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C)n2)n1
InChIInChI=1S/C24H26F3N5O3S/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)29-18-14-28-13-12-19(18)35-2/h3-11,18-19,28H,12-14H2,1-2H3,(H,29,30)(H,31,32)/t18-,19+/m1/s1
InChIKeyOTRWSMCJPAEACN-MOPGFXCFSA-N
XLogP4.06
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306496) is 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is CO[C@H]1CCNC[C@H]1Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccccc3C)n2)n1.
What is the InChIKey of 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is OTRWSMCJPAEACN-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/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)29-18-14-28-13-12-19(18)35-2/h3-11,18-19,28H,12-14H2,1-2H3,(H,29,30)(H,31,32)/t18-,19+/m1/s1.
What are the key properties of 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 521.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-4-methoxypiperidin-3-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).