1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

C16H23BrN2O4S — CID 2295277

IUPAC1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyOCPQFXPJNJNENA-UHFFFAOYSA-N
MW419.34 g/mol
LogP2.00
Rot. Bonds7

About 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 2295277) has the molecular formula C16H23BrN2O4S and a molecular weight of 419.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID2295277
Molecular FormulaC16H23BrN2O4S
Molecular Weight419.34 g/mol
Exact Mass418.06
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyOCPQFXPJNJNENA-UHFFFAOYSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide 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-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 126235408
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036
1-(4-bromophenyl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3607128
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-(3-methoxypropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24686101
N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 113003339
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 2295277) is 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is OCPQFXPJNJNENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 419.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 2295277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).