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

C26H30Cl2F3N3O3S — CID 91379208

IUPAC(3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F)NC1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C26H30Cl2F3N3O3S/c27-20-7-5-8-21(28)25(20)38(36,37)33-23(26(29,30)31)15-24(35)32-22-9-4-6-18-14-17(10-11-19(18)22)16-34-12-2-1-3-13-34/h5,7-8,10-11,14,22-23,33H,1-4,6,9,12-13,15-16H2,(H,32,35)/t22?,23-/m1/s1
InChIKeyJQGOFEIQOVHSIC-OZAIVSQSSA-N
MW592.51 g/mol
LogP5.77
Rot. Bonds8

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

(3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 91379208) has the molecular formula C26H30Cl2F3N3O3S and a molecular weight of 592.51 g/mol. Its IUPAC name is (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID91379208
Molecular FormulaC26H30Cl2F3N3O3S
Molecular Weight592.51 g/mol
Exact Mass591.13
IUPAC Name(3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F)NC1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C26H30Cl2F3N3O3S/c27-20-7-5-8-21(28)25(20)38(36,37)33-23(26(29,30)31)15-24(35)32-22-9-4-6-18-14-17(10-11-19(18)22)16-34-12-2-1-3-13-34/h5,7-8,10-11,14,22-23,33H,1-4,6,9,12-13,15-16H2,(H,32,35)/t22?,23-/m1/s1
InChIKeyJQGOFEIQOVHSIC-OZAIVSQSSA-N
XLogP5.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 91379208) is (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is O=C(C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F)NC1CCCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is JQGOFEIQOVHSIC-OZAIVSQSSA-N. The full InChI is InChI=1S/C26H30Cl2F3N3O3S/c27-20-7-5-8-21(28)25(20)38(36,37)33-23(26(29,30)31)15-24(35)32-22-9-4-6-18-14-17(10-11-19(18)22)16-34-12-2-1-3-13-34/h5,7-8,10-11,14,22-23,33H,1-4,6,9,12-13,15-16H2,(H,32,35)/t22?,23-/m1/s1.
What are the key properties of (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
(3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[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 (3R)-3-[(2,6-dichlorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 91379208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).