1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide

C18H20Cl2N2O2S — CID 100512787

IUPAC1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H20Cl2N2O2S/c19-15-5-4-14(18(20)12-15)13-25(23,24)21-16-6-8-17(9-7-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2
InChIKeyFVSQBANXKJPLCQ-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.93
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide

1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 100512787) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID100512787
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H20Cl2N2O2S/c19-15-5-4-14(18(20)12-15)13-25(23,24)21-16-6-8-17(9-7-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2
InChIKeyFVSQBANXKJPLCQ-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
1-(2-chloro-6-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
CID 99971656
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
N-[(5-chloro-2-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 115761922
ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
CID 30381867
1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
CID 90595959

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide (CID 100512787) is 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is FVSQBANXKJPLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c19-15-5-4-14(18(20)12-15)13-25(23,24)21-16-6-8-17(9-7-16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 399.34 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 100512787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).