N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide

C20H23ClN2O3S — CID 53103868

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-7-4-8-19(15-18)27(25,26)22-12-9-16-10-13-23(14-11-16)20(24)17-5-2-1-3-6-17/h1-8,15-16,22H,9-14H2
InChIKeyMTUQOOWWVWZPNR-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide (PubChem CID 53103868) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
PubChem CID53103868
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O3S/c21-18-7-4-8-19(15-18)27(25,26)22-12-9-16-10-13-23(14-11-16)20(24)17-5-2-1-3-6-17/h1-8,15-16,22H,9-14H2
InChIKeyMTUQOOWWVWZPNR-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 53103863
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
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-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide (CID 53103868) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide is O=C(c1ccccc1)N1CCC(CCNS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide?
The InChIKey is MTUQOOWWVWZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-7-4-8-19(15-18)27(25,26)22-12-9-16-10-13-23(14-11-16)20(24)17-5-2-1-3-6-17/h1-8,15-16,22H,9-14H2.
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.56, 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]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 53103868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).