N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C15H21BrN2O3S — CID 113146031

IUPACN-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-4-3-7-13(14)16)12-9-15(19)17-10-5-2-6-11-17/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyURSHKKCLDPIKCS-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.62
Rot. Bonds5

About N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113146031) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113146031
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC NameN-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-4-3-7-13(14)16)12-9-15(19)17-10-5-2-6-11-17/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyURSHKKCLDPIKCS-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113143965
ethyl 2-[methylsulfonyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113146683
3-(2-bromo-N-methylsulfonylanilino)propanoic acid
CID 50890506
N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113144037
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)methanesulfonamide
CID 113141610
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 113145116

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113146031) is N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is URSHKKCLDPIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-4-3-7-13(14)16)12-9-15(19)17-10-5-2-6-11-17/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 389.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113146031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).