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

C21H26N2O3S — CID 53103847

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-17-7-5-6-10-20(17)27(25,26)22-14-11-18-12-15-23(16-13-18)21(24)19-8-3-2-4-9-19/h2-10,18,22H,11-16H2,1H3
InChIKeyKGUUCNWYPRKSIF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.22
Rot. Bonds6

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

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 53103847) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID53103847
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-17-7-5-6-10-20(17)27(25,26)22-14-11-18-12-15-23(16-13-18)21(24)19-8-3-2-4-9-19/h2-10,18,22H,11-16H2,1H3
InChIKeyKGUUCNWYPRKSIF-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-bromobenzenesulfonamide
CID 53103840
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
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]-2,2-dimethylpropanamide
CID 46378993
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 53103863
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide (CID 53103847) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is KGUUCNWYPRKSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-7-5-6-10-20(17)27(25,26)22-14-11-18-12-15-23(16-13-18)21(24)19-8-3-2-4-9-19/h2-10,18,22H,11-16H2,1H3.
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.22, 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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 53103847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).