N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide

C19H22Cl2N2O2S — CID 69181310

IUPACN-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C19H22Cl2N2O2S/c1-26(24,25)23(13-16-4-2-6-18(20)19(16)21)17-9-7-14(8-10-17)15-5-3-11-22-12-15/h2,4,6-10,15,22H,3,5,11-13H2,1H3
InChIKeyIDWHVYBAFACHFL-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.43
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide

N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide (PubChem CID 69181310) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide
PubChem CID69181310
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C19H22Cl2N2O2S/c1-26(24,25)23(13-16-4-2-6-18(20)19(16)21)17-9-7-14(8-10-17)15-5-3-11-22-12-15/h2,4,6-10,15,22H,3,5,11-13H2,1H3
InChIKeyIDWHVYBAFACHFL-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide (CID 69181310) is N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide?
The InChIKey is IDWHVYBAFACHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-26(24,25)23(13-16-4-2-6-18(20)19(16)21)17-9-7-14(8-10-17)15-5-3-11-22-12-15/h2,4,6-10,15,22H,3,5,11-13H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide?
N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide has a molecular weight of 413.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-(4-piperidin-3-ylphenyl)methanesulfonamide is sourced from PubChem (CID 69181310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).