N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C20H24BrN3O3S — CID 55363461

IUPACN-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C20H24BrN3O3S/c1-14(2)15-3-6-18(7-4-15)28(26,27)24-11-9-16(10-12-24)20(25)23-19-8-5-17(21)13-22-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyPFVCXMZCQLZOCF-UHFFFAOYSA-N
MW466.40 g/mol
LogP4.01
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55363461) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55363461
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C20H24BrN3O3S/c1-14(2)15-3-6-18(7-4-15)28(26,27)24-11-9-16(10-12-24)20(25)23-19-8-5-17(21)13-22-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyPFVCXMZCQLZOCF-UHFFFAOYSA-N
XLogP4.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55913923
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
CID 56549938
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55613261
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-methyl-N-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide
CID 166707698
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 27783378

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 55363461) is N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PFVCXMZCQLZOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-14(2)15-3-6-18(7-4-15)28(26,27)24-11-9-16(10-12-24)20(25)23-19-8-5-17(21)13-22-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,22,23,25).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 466.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55363461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).