N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H16BrN3O3S2 — CID 2314215

IUPACN-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16BrN3O3S2/c16-12-3-4-13(17-10-12)18-15(20)11-5-7-19(8-6-11)24(21,22)14-2-1-9-23-14/h1-4,9-11H,5-8H2,(H,17,18,20)
InChIKeyLPZMCVNRIIXCPQ-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.94
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2314215) has the molecular formula C15H16BrN3O3S2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2314215
Molecular FormulaC15H16BrN3O3S2
Molecular Weight430.35 g/mol
Exact Mass428.98
IUPAC NameN-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16BrN3O3S2/c16-12-3-4-13(17-10-12)18-15(20)11-5-7-19(8-6-11)24(21,22)14-2-1-9-23-14/h1-4,9-11H,5-8H2,(H,17,18,20)
InChIKeyLPZMCVNRIIXCPQ-UHFFFAOYSA-N
XLogP2.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2314215) is N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LPZMCVNRIIXCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S2/c16-12-3-4-13(17-10-12)18-15(20)11-5-7-19(8-6-11)24(21,22)14-2-1-9-23-14/h1-4,9-11H,5-8H2,(H,17,18,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2314215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).