1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid

C13H17BrN2O4S — CID 60859548

IUPAC1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O4S/c14-11-6-4-10(5-7-11)9-15-21(19,20)16-8-2-1-3-12(16)13(17)18/h4-7,12,15H,1-3,8-9H2,(H,17,18)
InChIKeyPBFUUSRMZDMCFS-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.72
Rot. Bonds5

About 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid

1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60859548) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID60859548
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O4S/c14-11-6-4-10(5-7-11)9-15-21(19,20)16-8-2-1-3-12(16)13(17)18/h4-7,12,15H,1-3,8-9H2,(H,17,18)
InChIKeyPBFUUSRMZDMCFS-UHFFFAOYSA-N
XLogP1.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 114185928
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid (CID 60859548) is 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is PBFUUSRMZDMCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c14-11-6-4-10(5-7-11)9-15-21(19,20)16-8-2-1-3-12(16)13(17)18/h4-7,12,15H,1-3,8-9H2,(H,17,18).
What are the key properties of 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid?
1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 377.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60859548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).