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

C14H19BrN2O4S — CID 26945526

IUPACethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-2-21-14(18)17-9-7-12(8-10-17)16-22(19,20)13-5-3-11(15)4-6-13/h3-6,12,16H,2,7-10H2,1H3
InChIKeyXSROGDJMXBWVQY-UHFFFAOYSA-N
MW391.29 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 26945526) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID26945526
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Nameethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-2-21-14(18)17-9-7-12(8-10-17)16-22(19,20)13-5-3-11(15)4-6-13/h3-6,12,16H,2,7-10H2,1H3
InChIKeyXSROGDJMXBWVQY-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 22694953
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate (CID 26945526) is ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is XSROGDJMXBWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-2-21-14(18)17-9-7-12(8-10-17)16-22(19,20)13-5-3-11(15)4-6-13/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 391.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 26945526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).