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

C12H14BrClN2O4S — CID 81269396

IUPAC1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O4S/c13-9-5-4-8(14)7-10(9)15-21(19,20)16-6-2-1-3-11(16)12(17)18/h4-5,7,11,15H,1-3,6H2,(H,17,18)
InChIKeyQBIOVSMZJDYABH-UHFFFAOYSA-N
MW397.68 g/mol
LogP2.70
Rot. Bonds4

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

1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 81269396) has the molecular formula C12H14BrClN2O4S and a molecular weight of 397.68 g/mol. Its IUPAC name is 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID81269396
Molecular FormulaC12H14BrClN2O4S
Molecular Weight397.68 g/mol
Exact Mass395.95
IUPAC Name1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O4S/c13-9-5-4-8(14)7-10(9)15-21(19,20)16-6-2-1-3-11(16)12(17)18/h4-5,7,11,15H,1-3,6H2,(H,17,18)
InChIKeyQBIOVSMZJDYABH-UHFFFAOYSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79042560
1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859865
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
1-[(3-chlorophenyl)methylsulfonyl]piperidine-2-carboxylic acid
CID 122070195
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid
CID 60859548
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 80578410

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid (CID 81269396) is 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is QBIOVSMZJDYABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O4S/c13-9-5-4-8(14)7-10(9)15-21(19,20)16-6-2-1-3-11(16)12(17)18/h4-5,7,11,15H,1-3,6H2,(H,17,18).
What are the key properties of 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 397.68 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 81269396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).