(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C26H28ClN3O3S — CID 91046890

IUPAC(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C26H28ClN3O3S/c27-22-12-7-13-24(15-22)34(32,33)30-23-14-21(16-28-17-23)26(31)29-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,28,30H,14,16-18H2,(H,29,31)/t21-,23-/m0/s1
InChIKeyGKWSDQOBXBXLIG-GMAHTHKFSA-N
MW498.05 g/mol
LogP3.54
Rot. Bonds8

About (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 91046890) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID91046890
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C26H28ClN3O3S/c27-22-12-7-13-24(15-22)34(32,33)30-23-14-21(16-28-17-23)26(31)29-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,28,30H,14,16-18H2,(H,29,31)/t21-,23-/m0/s1
InChIKeyGKWSDQOBXBXLIG-GMAHTHKFSA-N
XLogP3.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158286897
(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581
5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211623
5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211705
(3S,5R)-5-[(2-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157493547
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-3-carboxamide
CID 15985002
(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 90767512
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 15984328
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 91046890) is (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is GKWSDQOBXBXLIG-GMAHTHKFSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c27-22-12-7-13-24(15-22)34(32,33)30-23-14-21(16-28-17-23)26(31)29-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,28,30H,14,16-18H2,(H,29,31)/t21-,23-/m0/s1.
What are the key properties of (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide has a molecular weight of 498.05 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 91046890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).