1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid

C12H14BrNO4S — CID 737843

IUPAC1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)
InChIKeyVMVQMTHMVVRANM-UHFFFAOYSA-N
MW348.22 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid

1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 737843) has the molecular formula C12H14BrNO4S and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID737843
Molecular FormulaC12H14BrNO4S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)
InChIKeyVMVQMTHMVVRANM-UHFFFAOYSA-N
XLogP1.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)sulfonylpiperidine-4-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

1-(4-formylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 87405154
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 100798996
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370
1-(4-bromophenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1276465
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid (CID 737843) is 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is VMVQMTHMVVRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16).
What are the key properties of 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid?
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 348.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 737843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).