ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate

C15H21BrN2O5S — CID 3552944

IUPACethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H21BrN2O5S/c1-3-23-15(19)18-8-6-12(7-9-18)17-24(20,21)14-10-11(16)4-5-13(14)22-2/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyFEWVMJYSOZMRIP-UHFFFAOYSA-N
MW421.31 g/mol
LogP2.36
Rot. Bonds5

About ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 3552944) has the molecular formula C15H21BrN2O5S and a molecular weight of 421.31 g/mol. Its IUPAC name is ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID3552944
Molecular FormulaC15H21BrN2O5S
Molecular Weight421.31 g/mol
Exact Mass420.04
IUPAC Nameethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H21BrN2O5S/c1-3-23-15(19)18-8-6-12(7-9-18)17-24(20,21)14-10-11(16)4-5-13(14)22-2/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyFEWVMJYSOZMRIP-UHFFFAOYSA-N
XLogP2.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-((5-Bromo-2-methoxyphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308427
5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 991864
1-[(5-Bromo-2-ethoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 2378712
4-(3-Bromo-4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 1129616
Tert-butyl 4-[[5-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 24952798
Tert-butyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 24952802
4-[[5-Bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 69166058
4-[[4-Bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 69166765
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 89480813
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]azetidine-1-carboxylate
CID 89480853

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate (CID 3552944) is ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is FEWVMJYSOZMRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O5S/c1-3-23-15(19)18-8-6-12(7-9-18)17-24(20,21)14-10-11(16)4-5-13(14)22-2/h4-5,10,12,17H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 421.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3552944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).