N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide

C19H20BrN3O3S — CID 60542624

IUPACN-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C19H20BrN3O3S/c20-17-8-9-18(21-13-17)22-19(24)16-7-4-11-23(14-16)27(25,26)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,16H,4,7,11,14H2,(H,21,22,24)/b12-10+
InChIKeyWHTMVWWIELCVPI-ZRDIBKRKSA-N
MW450.36 g/mol
LogP3.50
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 60542624) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
PubChem CID60542624
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C19H20BrN3O3S/c20-17-8-9-18(21-13-17)22-19(24)16-7-4-11-23(14-16)27(25,26)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,16H,4,7,11,14H2,(H,21,22,24)/b12-10+
InChIKeyWHTMVWWIELCVPI-ZRDIBKRKSA-N
XLogP3.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811027
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 51071241
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
CID 56549938

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide (CID 60542624) is N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is WHTMVWWIELCVPI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c20-17-8-9-18(21-13-17)22-19(24)16-7-4-11-23(14-16)27(25,26)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,16H,4,7,11,14H2,(H,21,22,24)/b12-10+.
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 450.36 g/mol, XLogP of 3.50, 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-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 60542624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).