1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

C11H14BrN3O4S — CID 60858588

IUPAC1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C11H14BrN3O4S/c12-9-3-4-10(13-6-9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17)
InChIKeyQNGYGWQRYXQEDK-UHFFFAOYSA-N
MW364.22 g/mol
LogP1.30
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60858588) has the molecular formula C11H14BrN3O4S and a molecular weight of 364.22 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60858588
Molecular FormulaC11H14BrN3O4S
Molecular Weight364.22 g/mol
Exact Mass362.99
IUPAC Name1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C11H14BrN3O4S/c12-9-3-4-10(13-6-9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17)
InChIKeyQNGYGWQRYXQEDK-UHFFFAOYSA-N
XLogP1.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116786481
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 60542624
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65482449
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60858588) is 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is QNGYGWQRYXQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4S/c12-9-3-4-10(13-6-9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17).
What are the key properties of 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60858588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).