N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide

C20H23BrN2O3S — CID 53103840

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)22-13-10-16-11-14-23(15-12-16)20(24)17-4-2-1-3-5-17/h1-9,16,22H,10-15H2
InChIKeyKKVBWTMEUDABII-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide (PubChem CID 53103840) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
PubChem CID53103840
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)22-13-10-16-11-14-23(15-12-16)20(24)17-4-2-1-3-5-17/h1-9,16,22H,10-15H2
InChIKeyKKVBWTMEUDABII-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 53103863
N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
CID 37019523
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide (CID 53103840) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide is O=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide?
The InChIKey is KKVBWTMEUDABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c21-18-6-8-19(9-7-18)27(25,26)22-13-10-16-11-14-23(15-12-16)20(24)17-4-2-1-3-5-17/h1-9,16,22H,10-15H2.
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide has a molecular weight of 451.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide is sourced from PubChem (CID 53103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).