N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide

C27H29ClN2O3S — CID 51343685

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H29ClN2O3S/c1-21-12-13-24(28)19-26(21)30(34(32,33)25-10-6-3-7-11-25)20-27(31)29-16-14-23(15-17-29)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20H2,1H3
InChIKeyHYHHPQDXTQZEHO-UHFFFAOYSA-N
MW497.06 g/mol
LogP5.33
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 51343685) has the molecular formula C27H29ClN2O3S and a molecular weight of 497.06 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID51343685
Molecular FormulaC27H29ClN2O3S
Molecular Weight497.06 g/mol
Exact Mass496.16
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H29ClN2O3S/c1-21-12-13-24(28)19-26(21)30(34(32,33)25-10-6-3-7-11-25)20-27(31)29-16-14-23(15-17-29)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20H2,1H3
InChIKeyHYHHPQDXTQZEHO-UHFFFAOYSA-N
XLogP5.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.06
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
1-[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]piperidine-4-carboxamide
CID 126031541
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
CID 51343508
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
N-(4-chloro-2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 51343656
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
ethyl 1-[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]piperidine-4-carboxylate
CID 2973500
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 51343527
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
CID 7454068
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide (CID 51343685) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide is Cc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is HYHHPQDXTQZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3S/c1-21-12-13-24(28)19-26(21)30(34(32,33)25-10-6-3-7-11-25)20-27(31)29-16-14-23(15-17-29)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide has a molecular weight of 497.06 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 51343685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).