N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H24ClN5O3S — CID 3665299

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24ClN5O3S/c1-23(2)29(27,28)15-6-7-16(20)17(13-15)22-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyZZHGDKJYLRVRFX-UHFFFAOYSA-N
MW437.95 g/mol
LogP1.75
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3665299) has the molecular formula C19H24ClN5O3S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3665299
Molecular FormulaC19H24ClN5O3S
Molecular Weight437.95 g/mol
Exact Mass437.13
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24ClN5O3S/c1-23(2)29(27,28)15-6-7-16(20)17(13-15)22-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyZZHGDKJYLRVRFX-UHFFFAOYSA-N
XLogP1.75
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3665299) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is ZZHGDKJYLRVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3S/c1-23(2)29(27,28)15-6-7-16(20)17(13-15)22-19(26)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3665299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).