1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide

C17H25BrN2O4S — CID 24619962

IUPAC1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyAJFUABGFJBXMDT-UHFFFAOYSA-N
MW433.37 g/mol
LogP2.54
Rot. Bonds8

About 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide (PubChem CID 24619962) has the molecular formula C17H25BrN2O4S and a molecular weight of 433.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
PubChem CID24619962
Molecular FormulaC17H25BrN2O4S
Molecular Weight433.37 g/mol
Exact Mass432.07
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyAJFUABGFJBXMDT-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
(2S)-N-(3-cyclohexyloxypropyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43012791
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
CID 42949047
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide (CID 24619962) is 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide is CCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide?
The InChIKey is AJFUABGFJBXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O4S/c1-2-24-13-5-11-19-17(21)16-6-3-4-12-20(16)25(22,23)15-9-7-14(18)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide has a molecular weight of 433.37 g/mol, XLogP of 2.54, 8 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-ethoxypropyl)piperidine-2-carboxamide is sourced from PubChem (CID 24619962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).