(3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

C26H30Cl2F3N3O3S — CID 11556150

About (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

(3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 11556150) has the molecular formula C26H30Cl2F3N3O3S and a molecular weight of 592.51 g/mol. Its IUPAC name is (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

• Compound Name: (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
• PubChem CID: 11556150
• Molecular Formula: C26H30Cl2F3N3O3S
• Molecular Weight: 592.51 g/mol
• Exact Mass: 591.13
• IUPAC Name: (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
• SMILES: O=C(C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
• InChI: InChI=1S/C26H30Cl2F3N3O3S/c27-20-7-5-9-22(25(20)28)38(36,37)33-23(26(29,30)31)15-24(35)32-21-8-4-6-18-14-17(10-11-19(18)21)16-34-12-2-1-3-13-34/h5,7,9-11,14,21,23,33H,1-4,6,8,12-13,15-16H2,(H,32,35)/t21-,23+/m1/s1
• InChIKey: CGHGVJGOUYUXLB-GGAORHGYSA-N
• XLogP: 5.77
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.51
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?

The IUPAC name of (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 11556150) is (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

What is the SMILES notation for (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?

The canonical SMILES for (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is O=C(C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.

What is the InChIKey of (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?

The InChIKey is CGHGVJGOUYUXLB-GGAORHGYSA-N. The full InChI is InChI=1S/C26H30Cl2F3N3O3S/c27-20-7-5-9-22(25(20)28)38(36,37)33-23(26(29,30)31)15-24(35)32-21-8-4-6-18-14-17(10-11-19(18)21)16-34-12-2-1-3-13-34/h5,7,9-11,14,21,23,33H,1-4,6,8,12-13,15-16H2,(H,32,35)/t21-,23+/m1/s1.

What are the key properties of (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?

(3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 592.51 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(2,3-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 11556150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).