ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate

C17H23BrN2O5S — CID 55347050

IUPACethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H23BrN2O5S/c1-2-25-17(22)13-7-10-20(11-8-13)16(21)6-9-19-26(23,24)15-5-3-4-14(18)12-15/h3-5,12-13,19H,2,6-11H2,1H3
InChIKeyDXJOJPKTQIMEDZ-UHFFFAOYSA-N
MW447.35 g/mol
LogP1.92
Rot. Bonds7

About ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate (PubChem CID 55347050) has the molecular formula C17H23BrN2O5S and a molecular weight of 447.35 g/mol. Its IUPAC name is ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
PubChem CID55347050
Molecular FormulaC17H23BrN2O5S
Molecular Weight447.35 g/mol
Exact Mass446.05
IUPAC Nameethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H23BrN2O5S/c1-2-25-17(22)13-7-10-20(11-8-13)16(21)6-9-19-26(23,24)15-5-3-4-14(18)12-15/h3-5,12-13,19H,2,6-11H2,1H3
InChIKeyDXJOJPKTQIMEDZ-UHFFFAOYSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate 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

3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
CID 42982150
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
ethyl 1-[2-(3-bromobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 2346503
N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-bromobenzenesulfonamide
CID 31541405
ethyl 1-[2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 8707727
3-bromo-N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
CID 55657452
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
CID 119105507
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate (CID 55347050) is ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
The InChIKey is DXJOJPKTQIMEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O5S/c1-2-25-17(22)13-7-10-20(11-8-13)16(21)6-9-19-26(23,24)15-5-3-4-14(18)12-15/h3-5,12-13,19H,2,6-11H2,1H3.
What are the key properties of ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate has a molecular weight of 447.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).