N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C20H23BrN2O3S — CID 1120651

IUPACN-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C20H23BrN2O3S/c21-18-9-11-19(12-10-18)27(25,26)23(15-17-7-3-1-4-8-17)16-20(24)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyHVTGOXFAPSSFJH-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.65
Rot. Bonds6

About N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1120651) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1120651
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C20H23BrN2O3S/c21-18-9-11-19(12-10-18)27(25,26)23(15-17-7-3-1-4-8-17)16-20(24)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyHVTGOXFAPSSFJH-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646
4-acetyl-N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 4879572
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
CID 3355285
N-benzyl-4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126070627
2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149
N-benzyl-4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 3779168
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 126199833
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 1330104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1120651) is N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is HVTGOXFAPSSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c21-18-9-11-19(12-10-18)27(25,26)23(15-17-7-3-1-4-8-17)16-20(24)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-16H2.
What are the key properties of N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 451.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1120651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).