5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C26H27F2N3O3S — CID 73211622

IUPAC5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32)
InChIKeyIEYFPNOCFVJYON-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.17
Rot. Bonds8

About 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 73211622) has the molecular formula C26H27F2N3O3S and a molecular weight of 499.58 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID73211622
Molecular FormulaC26H27F2N3O3S
Molecular Weight499.58 g/mol
Exact Mass499.17
IUPAC Name5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32)
InChIKeyIEYFPNOCFVJYON-UHFFFAOYSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 73211622) is 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is IEYFPNOCFVJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32).
What are the key properties of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 73211622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).