N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

C20H22Cl2N2O3S — CID 108565780

IUPACN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-13-3-6-19(14(2)11-13)28(26,27)23-16-7-9-24(10-8-16)20(25)17-12-15(21)4-5-18(17)22/h3-6,11-12,16,23H,7-10H2,1-2H3
InChIKeyFQRAIPULTYRRPR-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108565780) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108565780
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3S/c1-13-3-6-19(14(2)11-13)28(26,27)23-16-7-9-24(10-8-16)20(25)17-12-15(21)4-5-18(17)22/h3-6,11-12,16,23H,7-10H2,1-2H3
InChIKeyFQRAIPULTYRRPR-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide 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-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (CID 108565780) is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is FQRAIPULTYRRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-13-3-6-19(14(2)11-13)28(26,27)23-16-7-9-24(10-8-16)20(25)17-12-15(21)4-5-18(17)22/h3-6,11-12,16,23H,7-10H2,1-2H3.
What are the key properties of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 441.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108565780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).